SCHEMBL20357586

SCHEMBL20357586

COc1ccc2ccc(=O)n(Cc3ccccn3)c2c1-n1c(C)nnc1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 9/20 0.41
▸ GABRA1 P14867 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ BRD2 P25440 1/20 0.39
▸ BRD3 Q15059 1/20 0.39
▸ NOX4 Q9NPH5 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SYK P43405 2/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ APLNR P35414 1/20 0.37

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
SCHEMBL20357638 0.84 BRD4 (0.38) BRD4GABRA1GABRA5CYP3A4CYP2C9
SCHEMBL16906006 0.81 BRD4 (0.41) BRD4GABRA1GABRA5NOX4
SCHEMBL20357621 0.77 BRD4 (0.40) BRD4GABRA1GABRA5CYP3A4CYP2C9
SCHEMBL20357645 0.77 BRD4 (0.38) BRD4GABRA1GABRA5CYP3A4CYP2C9
SCHEMBL20357601 0.77 BRD4 (0.54) BRD4GABRA1GABRA5CYP3A4CYP2C9
SCHEMBL20357635 0.77 BRD4 (0.45) BRD4GABRA1GABRA5CYP3A4CYP2C9
SCHEMBL20357570 0.77 BRD4 (0.43) BRD4GABRA1GABRA5CYP3A4CYP2C9
SCHEMBL20357659 0.75 GRIN1 (0.40) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL20357658 0.73 BRD4 (0.46) BRD4GABRA1GABRA5CYP3A4CYP2C9
SCHEMBL16896907 0.72 PLA2G2A (0.41) BRD4GABRA1GABRA5NOX4PDE4A

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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