SCHEMBL458128

SCHEMBL458128

O=C(O)c1cnc(-c2cc(Cl)cc3c2cnn3S(=O)(=O)c2ccccc2)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.39
KMT2A Q03164 1/20 0.34
RORC P51449 3/20 0.34
ACLY P53396 2/20 0.34
CYP2C19 P33261 2/20 0.33
SLC9A1 P19634 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SERPINE1 P05121 1/20 0.33
P4HTM Q9NXG6 1/20 0.33
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC11 Q96DB2 2/20 0.32

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
SCHEMBL111538 0.89 KMT2A (0.39) HTR6KMT2ACYP2C19CYP1A2CYP3A4
SCHEMBL109862 0.88 ALDH1A1 (0.42) KMT2ANPSR1
SCHEMBL27933961 0.86 HTR6 (0.36) HTR6RORCCYP2C19CYP1A2CYP3A4
SCHEMBL110755 0.86 HTR6 (0.39) HTR6RORCCYP2C19SLC9A1CYP1A2
SCHEMBL27933957 0.84 HTR6 (0.35) HTR6KMT2ARORCCYP2C19CYP1A2
SCHEMBL456984 0.84 HTR6 (0.37) HTR6CYP2C19SLC9A1CYP1A2CYP3A4
SCHEMBL19221842 0.78 HTR6 (0.38) HTR6KMT2A
SCHEMBL15049938 0.76 PIK3CD (0.41) HTR6
SCHEMBL660444 0.76 PIK3CD (0.41) HTR6
SCHEMBL657902 0.76 PIK3CD (0.41) HTR6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632921-A1 POLYMORPHS AND SALTS OF 6-(1H-INDOL-4-YL)-4-(5- { [4-(1-METHYLETHYL)-1-PI PERAZINYL]METHYL} -1,3-OXAZOL-2-YL)-1H-INDAZOLE AS PI3K INHIBITORS FOR USE IN THE TREATMENT OF E.G. RESPIRATORY DISORDERS Glaxo Group Limited (GB) 2013-09-04 EP disclosed
EP-2613781-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-17 EP disclosed
EP-2614058-A1 POLYMORPHS AND SALTS OF N- [5- [4- (5- { [(2R,6S) -2, 6 - DIMETHYL - 4 -MORPHOLINYL]METHYL} - 1, 3 - OXAZOL - 2 - YL) - 1H- INDA ZOL-6-YL]-2- (METHYLOXY) - 3 - PYRIDINYL]METHANESULFONAMIDE GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-17 EP disclosed
WO-2012055846-A1 POLYMORPHS AND SALTS OF 6-(1H-INDOL-4-YL)-4-(5- { [4-(1-METHYLETHYL)-1-PI PERAZINYL] METHYL} -1,3-OXAZOL-2-YL)-1H-INDAZOLE AS PI3K INHIBITORS FOR USE IN THE TREATMENT OF E.G. RESPIRATORY DISORDERS GLAXO GROUP LIMITED (GB) 2012-05-03 WO disclosed
WO-2012032067-A1 POLYMORPHS AND SALTS OF N- [5- [4- (5- { [(2R,6S) -2, 6 - DIMETHYL - 4 -MORPHOLINYL] METHYL} - 1, 3 - OXAZOL - 2 - YL) - 1H- INDA ZOL-6-YL] -2- (METHYLOXY) - 3 - PYRIDINYL] METHANESULFONAMIDE GLAXO GROUP LIMITED (GB) 2012-03-15 WO disclosed
WO-2012032065-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2012-03-15 WO disclosed