SCHEMBL28514156

SCHEMBL28514156

CC(C)c1nn(-c2ccc(F)cc2)c2nc(C(=O)O)cc(C3=CCN(C(=O)OC(C)(C)C)CC3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 6/20 0.49
▸ GRM5 P41594 5/20 0.49
▸ CFTR P13569 4/20 0.48
▸ PPARA Q07869 1/20 0.47
▸ PDK4 Q16654 1/20 0.42
▸ JAK1 P23458 1/20 0.41
▸ CDK9 P50750 4/20 0.41
▸ CCNT1 O60563 1/20 0.40
▸ GABRP O00591 1/20 0.40
▸ GABRD O14764 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ GABRA2 P47869 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ GABRA4 P48169 1/20 0.40
▸ GABRE P78334 1/20 0.40

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
SCHEMBL18692286 0.92 GRM1 (0.47) GRM1GRM5CFTRPPARAPDK4
SCHEMBL28514357 0.86 CFTR (0.48) GRM1GRM5CFTRJAK1CDK9
SCHEMBL18704492 0.84 GRM1 (0.49) GRM1GRM5CFTRPPARAPDK4
SCHEMBL18720597 0.83 CFTR (0.52) CFTRPPARAF2RL1
SCHEMBL18717649 0.81 CFTR (0.42) GRM1GRM5CFTRPPARACDK9
SCHEMBL18693207 0.81 PPARA (0.49) CFTRPPARAF2RL1
SCHEMBL18694210 0.80 JAK1 (0.43) GRM1GRM5CFTRPDK4JAK1
SCHEMBL18694742 0.79 CFTR (0.47) GRM1GRM5CFTRPDK4JAK1
SCHEMBL18692155 0.78 CFTR (0.54) CFTRPPARAF2RL1
SCHEMBL18740523 0.76 GRM5 (0.45) GRM1GRM5CFTRPDK4JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108513574-B N-sulfonylated pyrazolo [3, 4-b ] pyridine-6-carboxamides and methods of use 艾伯维公司 2021-01-05 — — CN disclosed
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