SCHEMBL16619466

SCHEMBL16619466

COC(=O)COc1cc2c(O)ccnc2cc1-c1c(C)noc1C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 17/20 0.48
BRD2 P25440 10/20 0.48
BRD3 Q15059 10/20 0.48
CYP3A4 P08684 7/20 0.44
CYP2C9 P11712 7/20 0.44
CYP2C19 P33261 1/20 0.44
PDE4B Q07343 1/20 0.44
MET P08581 1/20 0.42
AXL P30530 1/20 0.42

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
SCHEMBL11985075 0.84 BRD4 (0.61) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL16619406 0.80 BRD4 (0.44) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL18249909 0.78 BRD4 (0.47) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL16619386 0.77 BRD4 (0.43) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL16619524 0.77 ATAD2 (0.46) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL11980656 0.77 BRD4 (0.51) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL18249987 0.75 NSD3 (0.50) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL18249960 0.75 BRD4 (0.49) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL16619017 0.74 AKR1C3 (0.47) CYP2C19
SCHEMBL16618802 0.72 CYP3A4 (0.47) BRD4BRD2BRD3CYP3A4CYP2C9

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