SCHEMBL20357613

SCHEMBL20357613

COc1ccc2c(c1-c1c(C)noc1C)N(Cc1ccccn1)C(=O)C(C)(C)C2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 11/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ CYP2C9 P11712 3/20 0.43
▸ BRD2 P25440 1/20 0.43
▸ BRD3 Q15059 1/20 0.43
▸ SCN9A Q15858 6/20 0.42
▸ TAS2R8 Q9NYW2 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ FGFR4 P22455 1/20 0.36

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
SCHEMBL20357607 0.86 BRD4 (0.43) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL20357644 0.85 BRD4 (0.45) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL20357596 0.83 BRD4 (0.46) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16896952 0.83 BRD4 (0.51) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16896915 0.76 BRD4 (0.51) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL20357601 0.74 BRD4 (0.54) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16896733 0.72 BRD4 (0.53) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL20357632 0.71 BRD4 (0.54) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16896800 0.71 BRD4 (0.53) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL20357656 0.70 BRD4 (0.55) BRD4CYP3A4CYP2C9BRD2BRD3

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-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 — — EP claimed
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