SCHEMBL18904313

SCHEMBL18904313

COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(NCCO)n(Cc3ccccc3)c12

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 20/20 0.70
▸ CYP3A4 P08684 6/20 0.70
▸ CYP2C9 P11712 6/20 0.70
▸ BRD2 P25440 5/20 0.63
▸ BRD3 Q15059 5/20 0.63
▸ BRDT Q58F21 1/20 0.54

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
SCHEMBL12098683 0.86 BRD4 (0.69) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18904315 0.85 BRD4 (0.70) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL13731723 0.85 BRD4 (0.74) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL12099187 0.84 BRD4 (0.69) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL13731941 0.83 BRD4 (0.74) BRD4CYP3A4CYP2C9
SCHEMBL12098991 0.83 BRD4 (0.81) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL12098996 0.83 BRD4 (0.67) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL15974912 0.83 BRD4 (0.67) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL15984947 0.83 BRD4 (0.64) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL15464909 0.82 BRD4 (1.00) 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-2699573-B1 7-(3,5-DIMETHYL-4-ISOXAZOLYL)-8-(METHYLOXY)-1H-IMIDAZO[4,5-C]QUINOLINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2017-05-31 — — EP disclosed
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