SCHEMBL23372

SCHEMBL23372

NC(=O)c1cnc2ccccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.71
HPGDS O60760 2/20 0.58
CHEK2 O96017 1/20 0.55
PSMD14 O00487 1/20 0.55
STAMBP O95630 1/20 0.55
COPS5 Q92905 1/20 0.55
CFTR P13569 1/20 0.55
KDR P35968 1/20 0.51
BCAT1 P54687 1/20 0.51
TOP2A P11388 1/20 0.51
TOP2B Q02880 1/20 0.51
IKBKB O14920 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAP4K4 O95819 1/20 0.49
CSNK1G2 P78368 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
MAP4K5 Q9Y4K4 1/20 0.49
RAB9A P51151 2/20 0.49
CYP1A2 P05177 2/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29362497 1.00 MGAM (0.71) MGAMHPGDSCHEK2PSMD14STAMBP
Hydrochloric Acid SCHEMBL5311903 0.98 MGAM (0.69) MGAMHPGDSCHEK2PSMD14STAMBP
Hydrochloric Acid SCHEMBL28841803 0.98 MGAM (0.69) MGAMHPGDSCHEK2PSMD14STAMBP
Hydrochloric Acid SCHEMBL28129921 0.98 MGAM (0.69) MGAMHPGDSCHEK2PSMD14STAMBP
Fluoride SCHEMBL28234122 0.98 MGAM (0.69) MGAMHPGDSCHEK2PSMD14STAMBP
SCHEMBL27583240 0.98 MGAM (0.69) MGAMHPGDSCHEK2PSMD14STAMBP
Quinoline SCHEMBL28179581 0.92 MGAM (0.61) MGAMHPGDSCHEK2PSMD14STAMBP
Trifluoroacetic Acid SCHEMBL8360271 0.89 MGAM (0.62) MGAMHPGDSCHEK2PSMD14STAMBP
Isoquinoline SCHEMBL28230213 0.88 MGAM (0.56) MGAMHPGDSCHEK2PSMD14STAMBP
Urea SCHEMBL27348385 0.86 MGAM (0.90) MGAMHPGDSCHEK2PSMD14CFTR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1216 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119998297-A Crystalline forms of (3 s,7s,10r,13 r) -13-benzyl-20-fluoro-7-isobutyl-N- (2- (3-methoxy-1, 2, 4-oxadiazol-5-yl) ethyl) -6, 9-dimethyl-1,5,8,11-tetraoxo-10- (2, 2-trifluoroethyl) -1,2,3,4,5,6,7,8,9,10,11,12,13,14-decatetrahydro- [1] oxa [4,7,10,14] tetraazaheptadecao [16,17-f ] quinoline-3-carboxamide 爱杜西亚药品有限公司 2025-05-13 CN claimed
CN-119907667-A Combination of macrocyclic CFTR modulators with CFTR corrector and/or CFTR potentiator 爱杜西亚药品有限公司 2025-04-29 CN claimed
EP-4525858-A1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS Vertex Pharmaceuticals Incorporated (US) 2025-03-26 EP claimed
EP-4472635-A1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS Vertex Pharmaceuticals Incorporated (US) 2024-12-11 EP claimed
EP-4422402-A1 FUNGICIDAL COMPOSITIONS COMPRISING FLUDIOXONIL Syngenta Crop Protection AG (CH) 2024-09-04 EP claimed
EP-4384016-A1 ACTIVE COMPOUND COMBINATIONS AND FUNGICIDE COMPOSITIONS COMPRISING THOSE Bayer Aktiengesellschaft (DE) 2024-06-19 EP claimed
EP-4377305-A1 ORGANIC PYRIDINE-PYRAZOLE COMPOUNDS AND THEIR USES BenevolentAI Cambridge Limited (GB) 2024-06-05 EP claimed
CN-117751107-A Organic pyridine-pyrazole compounds and uses thereof 博善人工智能剑桥有限公司 2024-03-22 CN claimed
CN-117603219-A P-glycoprotein inhibitor and preparation method and application thereof 浙江大学 2024-02-27 CN claimed
CN-110869363-B 5-membered and bicyclic heterocyclic amides as ROCK inhibitors 百时美施贵宝公司 2024-01-05 CN claimed
WO-1995024196-A1 NEW USE OF QUINOLINE-3-CARBOXAMIDE COMPOUNDS PHARMACIA & UPJOHN AB (SE) 1995-09-14 WO claimed
WO-1995003051-A1 USE OF QUINOLINE-3-CARBOXAMIDE COMPOUNDS FOR INHIBITING THE PRODUCTION OF TUMOUR NECROSIS FACTOR (TNF) AND/OR FOR THE TREATMENT OF SEPTIC SHOCK PHARMACIA AB (SE) 1995-02-02 WO claimed
EP-0634931-A1 THE USE OF QUINOLINE-3-CARBOXAMIDE COMPOUNDS FOR TREATMENT OF DIABETES Pharmacia & Upjohn Aktiebolag (SE) 1995-01-25 EP claimed
WO-1993019756-A9 THE USE OF QUINOLINE-3-CARBOXAMIDE COMPOUNDS FOR TREATMENT OF DIABETES 1994-10-27 WO claimed
EP-0607282-A1 NEW USE OF SUBSTITUTED QUINOLINE CARBOXAMIDE Pharmacia & Upjohn Aktiebolag (SE) 1994-07-27 EP claimed
WO-1993019756-A1 THE USE OF QUINOLINE-3-CARBOXAMIDE COMPOUNDS FOR TREATMENT OF DIABETES KABI PHARMACIA AB (SE) 1993-10-14 WO claimed
WO-1993006829-A1 NEW USE OF SUBSTITUTED QUINOLINE CARBOXAMIDE KABI PHARMACIA AB (SE) 1993-04-15 WO claimed
US-4845105-A 4-OH-quinoline carboxylic acid amides having analgesic and anti-inflammatory activity ROUSSEL UCLAF (FR) 1989-07-04 US claimed
US-4450167-A TRANQUILIZERS; PSYCHOLOGICAL DISORDERS ROUSSEL UCLAF (FR) 1984-05-22 US claimed
US-4299831-A 2-Trifluoromethyl-3-quinoline carboxamides, analgesic and anti-inflammatory compositions and methods employing them ROUSSEL UCLAF (FR) 1981-11-10 US claimed