SCHEMBL16619519

SCHEMBL16619519

Cc1cc2c(cc1-c1c(C)noc1C)ncc1c2n([C@H](C)c2ccccc2)c(=NC#N)n1C

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.54
BRD2 P25440 4/20 0.51
BRD3 Q15059 4/20 0.51
BRDT Q58F21 1/20 0.51
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50

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
SCHEMBL16619218 0.84 BRD4 (0.47) BRD4BRD2BRD3BRDTCYP3A4
SCHEMBL16619404 0.83 BRD4 (0.63) BRD4BRD2BRD3BRDTCYP3A4
SCHEMBL16618873 0.82 BRD4 (0.76) BRD4BRD2BRD3BRDTCYP3A4
SCHEMBL16618912 0.75 BRD4 (0.77) BRD4BRD2BRD3BRDTCYP3A4
SCHEMBL16619407 0.74 BRD4 (0.55) BRD4BRD2BRD3BRDTCYP3A4
SCHEMBL16618811 0.74 BRD4 (0.60) BRD4BRD2BRD3BRDTCYP3A4
SCHEMBL16619330 0.74 BRD4 (0.60) BRD4BRD2BRD3BRDTCYP3A4
SCHEMBL16619283 0.72 BRD4 (0.51) BRD4BRD2BRD3BRDTCYP3A4
SCHEMBL16619653 0.72 BRD4 (0.66) BRD4BRD2BRD3BRDTCYP3A4
SCHEMBL16619458 0.72 BRD4 (0.64) BRD4BRD2BRD3BRDTCYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015049629-A1 IMIDAZOQUINOLINE COMPOUNDS AS BROMODOMAIN INHIBITORS Piramal Enterprises Limited (IN) 2015-04-09 WO claimed
WO-2015049629-A1 IMIDAZOQUINOLINE COMPOUNDS AS BROMODOMAIN INHIBITORS Piramal Enterprises Limited (IN) 2015-04-09 WO disclosed