SCHEMBL16619839

SCHEMBL16619839

COc1cc2c(N[C@@H](C)c3ccccc3)c(N)cnc2cc1-c1c(C)noc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 15/20 0.59
CYP3A4 P08684 13/20 0.56
CYP2C9 P11712 13/20 0.56
BRD2 P25440 11/20 0.56
BRD3 Q15059 11/20 0.56
BRDT Q58F21 2/20 0.55
CYP2C19 P33261 2/20 0.49
PDE4B Q07343 2/20 0.49
CACNA1A O00555 1/20 0.49
CHRNA1 P02708 1/20 0.49
CYP2D6 P10635 1/20 0.49
CCL2 P13500 1/20 0.49
KCNA5 P22460 1/20 0.49
TACR1 P25103 1/20 0.49
MAOB P27338 1/20 0.49
AVPR1A P37288 1/20 0.49
KCNH2 Q12809 1/20 0.49
SCN5A Q14524 1/20 0.49
CREBBP Q92793 1/20 0.49
KCNH3 Q9ULD8 1/20 0.49

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
SCHEMBL11909184 1.00 BRD4 (0.59) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16618922 0.91 BRD4 (0.49) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL11980666 0.89 LMNA (0.48) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL1907655 0.89 BRD4 (0.62) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL12096364 0.89 BRD4 (0.62) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL11909203 0.87 BRD4 (0.55) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL13731747 0.87 CYP3A4 (0.72) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16619338 0.87 BRD4 (0.55) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL13732097 0.86 BRD4 (0.49) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18249912 0.86 BRD4 (0.51) 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
WO-2015049629-A1 IMIDAZOQUINOLINE COMPOUNDS AS BROMODOMAIN INHIBITORS Piramal Enterprises Limited (IN) 2015-04-09 WO disclosed