SCHEMBL22607669

SCHEMBL22607669

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

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 13/20 0.34
▸ ABCB1 P08183 1/20 0.32

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 0.92 ROCK2 (0.32) ABCB1
SCHEMBL22607670 0.90 EGFR (0.32) —
SCHEMBL22607656 0.89 RAD52 (0.30) —
SCHEMBL22607641 0.88 KDM1A (0.32) —
SCHEMBL22607642 0.88 CCNA2 (0.31) —
SCHEMBL22607655 0.87 CCNA2 (0.32) —
SCHEMBL22607637 0.87 MAPT (0.32) —
SCHEMBL16334004 0.86 CNR2 (0.33) —
SCHEMBL17789689 0.86 NR1H4 (0.31) —
SCHEMBL22607647 0.86 USP30 (0.33) —

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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