SCHEMBL16377828

SCHEMBL16377828

COc1cc2c(cc1-c1ccn(C)c1)-c1c(c(C(C)=O)nn1-c1ccsc1)CO2

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 3/20 0.32
▸ CDK2 P24941 3/20 0.32
▸ CCNA1 P78396 3/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ ACVR1 Q04771 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ PIK3CD O00329 1/20 0.30
▸ PIK3R2 O00459 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ PIK3R5 Q8WYR1 1/20 0.30
▸ PIK3R3 Q92569 1/20 0.30

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
SCHEMBL29670764 0.93 CCNA2 (0.35) CCNA2CDK2CCNA1TGFBR1ACVR1
SCHEMBL16339421 0.93 CCNA2 (0.35) CCNA2CDK2CCNA1TGFBR1ACVR1
SCHEMBL16377819 0.90 PIK3CD (0.37) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL24519343 0.89 JMJD6 (0.33) —
SCHEMBL17789656 0.89 NR1H4 (0.31) —
SCHEMBL16377782 0.88 CCNA2 (0.33) CCNA2CDK2CCNA1TGFBR1ACVR1
SCHEMBL16377971 0.88 — —
SCHEMBL22607637 0.87 MAPT (0.32) CCNA2CDK2CCNA1MAPTPOLB
SCHEMBL16377788 0.87 MAPT (0.32) MAPT
SCHEMBL16377726 0.87 MAPT (0.32) MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3013832-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2020-11-04 — — EP disclosed
WO-2014209980-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2014-12-31 — — WO disclosed
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