SCHEMBL22607661

SCHEMBL22607661

COC/C=C/c1cc2c(cc1OC)OCc1c(C(=O)NCC(C)(C)C)nn(-c3ccsc3)c1-2

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 2/20 0.31
▸ CDK2 P24941 2/20 0.31
▸ CCNA1 P78396 2/20 0.31
▸ RAD52 P43351 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
SCHEMBL17783210 0.89 CCNA2 (0.33) CCNA2CDK2CCNA1RAD52
SCHEMBL16334004 0.87 CNR2 (0.33) CCNA2CDK2CCNA1RAD52
SCHEMBL16377815 0.86 — —
SCHEMBL17783237 0.85 KMT2A (0.32) CCNA2CDK2CCNA1RAD52
SCHEMBL17783235 0.85 KCNJ1 (0.32) CCNA2CDK2CCNA1RAD52
SCHEMBL22607658 0.84 KDM4E (0.32) CCNA2CDK2CCNA1RAD52
SCHEMBL17783251 0.84 RORC (0.31) CCNA2CDK2CCNA1RAD52
SCHEMBL22607652 0.84 ROCK2 (0.32) CCNA2CDK2CCNA1RAD52
SCHEMBL22607665 0.83 CCNA2 (0.31) CCNA2CDK2CCNA1RAD52
SCHEMBL17783250 0.83 RAD52 (0.32) 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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