SCHEMBL16619102

SCHEMBL16619102

COc1cc2c(NCc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)c(N)cnc2cc1-c1c(C)noc1C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.48
CYP2C9 P11712 11/20 0.48
BRD4 O60885 11/20 0.48
BRD2 P25440 6/20 0.48
BRD3 Q15059 6/20 0.48
CYP2C19 P33261 1/20 0.44
PDE4B Q07343 1/20 0.44
HDAC1 Q13547 1/20 0.42
MLYCD O95822 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL15972881 0.87 LMNA (0.50) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL16619460 0.86 BRD4 (0.49) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL16619717 0.82 CYP3A4 (0.52) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL17967453 0.81 BRD4 (0.50) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL12096421 0.78 CYP3A4 (0.50) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL1905996 0.78 BRD4 (0.62) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL16774314 0.78 BRD4 (0.58) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL16619514 0.77 BRD4 (0.54) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL1907076 0.77 BRD4 (0.48) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL17967397 0.76 BRD4 (0.50) CYP3A4CYP2C9BRD4BRD2BRD3

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