SCHEMBL16619289

SCHEMBL16619289

Cc1noc(C)c1-c1ccc2c(NC(C)c3ccccc3)c(N)cnc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.59
CYP3A4 P08684 5/20 0.55
CYP2C9 P11712 3/20 0.55
BRD4 O60885 7/20 0.54
BRD2 P25440 5/20 0.54
BRD3 Q15059 3/20 0.54
SLC2A1 P11166 1/20 0.48
GPR55 Q9Y2T6 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
CREBBP Q92793 1/20 0.43
USP2 O75604 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
EGFR P00533 2/20 0.42
PRKDC P78527 2/20 0.42
PFKFB3 Q16875 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP2D6 P10635 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
SCHEMBL16619284 1.00 LMNA (0.59) LMNACYP3A4CYP2C9BRD4BRD2
SCHEMBL16619532 0.86 LMNA (0.55) LMNACYP3A4CYP2C9BRD4BRD2
SCHEMBL16619529 0.86 LMNA (0.55) LMNACYP3A4CYP2C9BRD4BRD2
SCHEMBL11980666 0.85 LMNA (0.48) LMNACYP3A4CYP2C9BRD4BRD2
SCHEMBL16619839 0.82 BRD4 (0.59) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL11909184 0.82 BRD4 (0.59) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL1904103 0.81 CYP3A4 (0.58) LMNACYP3A4CYP2C9BRD4BRD2
SCHEMBL12168779 0.80 CYP3A4 (0.76) LMNACYP3A4CYP2C9BRD4BRD2
SCHEMBL16618922 0.79 BRD4 (0.49) LMNACYP3A4CYP2C9BRD4BRD2
SCHEMBL16618854 0.77 LMNA (0.42) LMNACYP3A4CYP2C9BRD4BRD2

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