SCHEMBL22607652

SCHEMBL22607652

COc1cc2c(cc1-c1ccn(C)n1)-c1c(c(C(=O)NCC(C)(C)C)nn1-c1ccsc1)CO2

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ CCNA2 P20248 2/20 0.31
▸ CDK2 P24941 2/20 0.31
▸ CCNA1 P78396 2/20 0.31
▸ RAD52 P43351 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ ABCB1 P08183 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
SCHEMBL22607669 0.92 BRD4 (0.34) ABCB1
SCHEMBL22607670 0.91 EGFR (0.32) ROCK2MAPTCCNA2CDK2CCNA1
SCHEMBL22607642 0.91 CCNA2 (0.31) CCNA2CDK2CCNA1RAD52
SCHEMBL22607655 0.90 CCNA2 (0.32) CCNA2CDK2CCNA1RAD52
SCHEMBL22607637 0.90 MAPT (0.32) MAPTCCNA2CDK2CCNA1RAD52
SCHEMBL22607641 0.89 KDM1A (0.32) MAPTCCNA2CDK2CCNA1RAD52
SCHEMBL16377730 0.89 CCNA2 (0.31) MAPTCCNA2CDK2CCNA1
SCHEMBL29670692 0.89 CCNA2 (0.31) MAPTCCNA2CDK2CCNA1
SCHEMBL16334004 0.89 CNR2 (0.33) MAPTCCNA2CDK2CCNA1RAD52
SCHEMBL22607647 0.88 USP30 (0.33) ROCK2MAPTCCNA2CDK2CCNA1

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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