SCHEMBL22626644

SCHEMBL22626644

COc1cc2c(cc1Br)-c1c(c(C(=O)OC3CC[C@H](N)C3)nn1-c1ccsc1)CO2

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CCNA1 P78396 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
SCHEMBL16378009 1.00 CCNA2 (0.30) CCNA2CDK2CCNA1
SCHEMBL22626639 0.91 — —
SCHEMBL16378010 0.89 JMJD6 (0.32) —
SCHEMBL16377736 0.88 — —
SCHEMBL16377773 0.85 CCNA2 (0.43) CCNA2CDK2CCNA1
SCHEMBL22626643 0.84 CCNA2 (0.35) CCNA2CDK2CCNA1
SCHEMBL16333638 0.84 CCNA2 (0.39) CCNA2CDK2CCNA1
SCHEMBL16334006 0.79 PDE7A (0.32) —
SCHEMBL29539301 0.79 PDE7A (0.32) —
SCHEMBL24519344 0.79 JMJD6 (0.41) —

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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