SCHEMBL22607637

SCHEMBL22607637

COc1cc2c(cc1-c1ccn(C)c1)-c1c(c(C(=O)NCC(C)(C)C)nn1-c1ccsc1)CO2

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.32
▸ RAD52 P43351 1/20 0.32
▸ TP53 P04637 3/20 0.31
▸ POLB P06746 1/20 0.30
▸ 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
SCHEMBL22607670 0.91 EGFR (0.32) MAPTRAD52CCNA2CDK2CCNA1
SCHEMBL22607652 0.90 ROCK2 (0.32) MAPTRAD52TP53CCNA2CDK2
SCHEMBL16377820 0.89 MAPT (0.32) MAPTTP53POLBCCNA2CDK2
SCHEMBL22607643 0.89 CCNA2 (0.32) MAPTRAD52CCNA2CDK2CCNA1
SCHEMBL16340072 0.89 ROCK2 (0.41) —
SCHEMBL22607641 0.88 KDM1A (0.32) MAPTRAD52TP53POLBCCNA2
SCHEMBL17783265 0.88 CYP19A1 (0.36) —
SCHEMBL22607653 0.88 CCNA2 (0.32) MAPTRAD52CCNA2CDK2CCNA1
SCHEMBL16377951 0.88 RORC (0.31) MAPTRAD52TP53POLB
SCHEMBL16334004 0.87 CNR2 (0.33) MAPTRAD52TP53POLBCCNA2

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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