SCHEMBL22607641

SCHEMBL22607641

COc1cc2c(cc1-c1cn(C)nc1C)-c1c(c(C(=O)NCC(C)(C)C)nn1-c1ccsc1)CO2

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.32
▸ CCNA2 P20248 2/20 0.31
▸ CDK2 P24941 2/20 0.31
▸ TTK P33981 1/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ TP53 P04637 2/20 0.30
▸ POLB P06746 1/20 0.30
▸ CCNA1 P78396 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ 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
SCHEMBL22607652 0.89 ROCK2 (0.32) CCNA2CDK2TP53CCNA1MAPT
SCHEMBL22607645 0.89 CCNA2 (0.32) CCNA2CDK2CCNA1RAD52
SCHEMBL22607650 0.89 CCNA2 (0.31) CCNA2CDK2CCNA1RAD52
SCHEMBL22607669 0.88 BRD4 (0.34) —
SCHEMBL22607637 0.88 MAPT (0.32) CCNA2CDK2TP53POLBCCNA1
SCHEMBL22607670 0.87 EGFR (0.32) CCNA2CDK2CCNA1MAPTRAD52
SCHEMBL22607665 0.87 CCNA2 (0.31) CCNA2CDK2CCNA1RAD52
SCHEMBL16334004 0.87 CNR2 (0.33) CCNA2CDK2TP53POLBCCNA1
SCHEMBL22607662 0.87 BRD4 (0.33) —
SCHEMBL22607648 0.87 CCNA2 (0.34) CCNA2CDK2TP53POLBCCNA1

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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