SCHEMBL22607647

SCHEMBL22607647

COc1cc2c(cc1-c1ccnn1C)-c1c(c(C(=O)NCC(C)(C)C)nn1-c1ccsc1)CO2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.33
▸ HTR2A P28223 9/20 0.33
▸ HTR2C P28335 6/20 0.33
▸ MAPT P10636 2/20 0.32
▸ CCNA2 P20248 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ CCNA1 P78396 2/20 0.32
▸ TP53 P04637 3/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ RAD52 P43351 1/20 0.30
▸ ROCK2 O75116 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
SCHEMBL22607648 0.89 CCNA2 (0.34) MAPTCCNA2CDK2CCNA1TP53
SCHEMBL22607659 0.89 ROCK2 (0.32) CCNA2CDK2CCNA1RAD52ROCK2
SCHEMBL22607667 0.89 CCNA2 (0.30) MAPTCCNA2CDK2CCNA1RAD52
SCHEMBL22607652 0.88 ROCK2 (0.32) MAPTCCNA2CDK2CCNA1TP53
SCHEMBL22607638 0.88 CCNA2 (0.31) CCNA2CDK2CCNA1
SCHEMBL16334004 0.87 CNR2 (0.33) MAPTCCNA2CDK2CCNA1TP53
SCHEMBL17783225 0.87 CCNA2 (0.37) USP30HTR2AHTR2CMAPTCCNA2
SCHEMBL29670825 0.87 CCNA2 (0.37) USP30HTR2AHTR2CMAPTCCNA2
SCHEMBL22607637 0.87 MAPT (0.32) MAPTCCNA2CDK2CCNA1TP53
SCHEMBL17783221 0.87 CCNA2 (0.30) CCNA2CDK2CCNA1RAD52

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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