SCHEMBL22626408

SCHEMBL22626408

COc1cc2c(cc1C=C(C)C)-c1c(c(C(N)=O)nn1-c1ccsc1)CO2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 16/20 0.40
▸ CDK2 P24941 16/20 0.40
▸ CCNA1 P78396 16/20 0.40
▸ PLK1 P53350 1/20 0.33
▸ PLK3 Q9H4B4 1/20 0.33
▸ PLK2 Q9NYY3 1/20 0.33
▸ F10 P00742 2/20 0.33
▸ IKBKB O14920 1/20 0.33

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
SCHEMBL22626591 0.93 CCNA2 (0.34) CCNA2CDK2CCNA1
SCHEMBL16333609 0.92 CCNA2 (0.39) CCNA2CDK2CCNA1F10
SCHEMBL22626261 0.90 CCNA2 (0.32) CCNA2CDK2CCNA1
SCHEMBL16339912 0.89 CCNA2 (0.42) CCNA2CDK2CCNA1F10
SCHEMBL17783213 0.88 CCNA2 (0.37) CCNA2CDK2CCNA1
SCHEMBL20580158 0.88 PIK3CD (0.37) —
SCHEMBL16377780 0.87 PIK3CD (0.45) —
SCHEMBL16377688 0.87 PDE7A (0.30) —
SCHEMBL16377982 0.86 RAD52 (0.37) CCNA2CDK2CCNA1
SCHEMBL16377775 0.86 RAD52 (0.36) 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
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