SCHEMBL22607643

SCHEMBL22607643

COc1cc2c(cc1-c1cncnc1)-c1c(c(C(=O)NCC(C)(C)C)nn1-c1ccsc1)CO2

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ CCNA1 P78396 2/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.31
▸ ROCK2 O75116 2/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TGFBR1 P36897 1/20 0.31
▸ ACVR1 Q04771 1/20 0.31
▸ RAD52 P43351 1/20 0.31

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
SCHEMBL17783265 0.93 CYP19A1 (0.36) ABL1AAK1ROCK2ROCK1
SCHEMBL16340072 0.91 ROCK2 (0.41) ROCK2ROCK1
SCHEMBL22607653 0.90 CCNA2 (0.32) CCNA2CDK2CCNA1ROCK2ROCK1
SCHEMBL22607637 0.89 MAPT (0.32) CCNA2CDK2CCNA1MAPTRAD52
SCHEMBL16334004 0.88 CNR2 (0.33) CCNA2CDK2CCNA1MAPTRAD52
SCHEMBL22607659 0.88 ROCK2 (0.32) CCNA2CDK2CCNA1ROCK2RAD52
SCHEMBL22607652 0.88 ROCK2 (0.32) CCNA2CDK2CCNA1ROCK2MAPT
SCHEMBL22607665 0.87 CCNA2 (0.31) CCNA2CDK2CCNA1RAD52
SCHEMBL22607650 0.87 CCNA2 (0.31) CCNA2CDK2CCNA1RAD52
SCHEMBL22607642 0.87 CCNA2 (0.31) CCNA2CDK2CCNA1ABL1RAD52

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
EP-3013832-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2020-11-04 — — EP disclosed
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