SCHEMBL22607638

SCHEMBL22607638

COc1cc2c(cc1-c1cnc(C)n1C)-c1c(c(C(=O)NCC(C)(C)C)nn1-c1ccsc1)CO2

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 3/20 0.31
▸ CDK2 P24941 3/20 0.31
▸ CCNA1 P78396 1/20 0.31
▸ TTK P33981 2/20 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
SCHEMBL16377984 0.90 TTK (0.35) CCNA2CDK2CCNA1TTK
SCHEMBL22607659 0.88 ROCK2 (0.32) CCNA2CDK2CCNA1
SCHEMBL22607647 0.88 USP30 (0.33) CCNA2CDK2CCNA1
SCHEMBL22607648 0.87 CCNA2 (0.34) CCNA2CDK2CCNA1
SCHEMBL22607634 0.87 PDE10A (0.32) CCNA2CDK2CCNA1
SCHEMBL22607658 0.87 KDM4E (0.32) CCNA2CDK2CCNA1
SCHEMBL22607652 0.87 ROCK2 (0.32) CCNA2CDK2CCNA1
SCHEMBL22607670 0.86 EGFR (0.32) CCNA2CDK2CCNA1
SCHEMBL17789673 0.86 PDE7A (0.31) TTK
SCHEMBL22607665 0.86 CCNA2 (0.31) CCNA2CDK2CCNA1

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
Send feedback