SCHEMBL16618854

SCHEMBL16618854

Cc1noc(C)c1-c1cc2ncc(N)c(N[C@H](C)c3ccccc3)c2cc1CCCC#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
EGFR P00533 2/20 0.39
PRKDC P78527 2/20 0.39
BRD4 O60885 12/20 0.39
BRD2 P25440 8/20 0.38
BRD3 Q15059 8/20 0.38
BRDT Q58F21 2/20 0.38
CYP3A4 P08684 11/20 0.38
CYP2C9 P11712 10/20 0.38
TRIM24 O15164 1/20 0.34
BRD1 O95696 1/20 0.34
CHRNA1 P02708 1/20 0.34
CHRM2 P08172 1/20 0.34
CCL2 P13500 1/20 0.34
DRD2 P14416 1/20 0.34
TAF1 P21675 1/20 0.34
DRD4 P21917 1/20 0.34
ACHE P22303 1/20 0.34
SLC6A2 P23975 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL11980666 0.84 LMNA (0.48) LMNAEGFRPRKDCBRD4BRD2
SCHEMBL16619177 0.81 EGFR (0.45) EGFRPRKDC
SCHEMBL16619179 0.81 EGFR (0.45) EGFRPRKDC
SCHEMBL11909184 0.81 BRD4 (0.59) BRD4BRD2BRD3BRDTCYP3A4
SCHEMBL16619839 0.81 BRD4 (0.59) BRD4BRD2BRD3BRDTCYP3A4
SCHEMBL16618922 0.79 BRD4 (0.49) LMNABRD4BRD2BRD3BRDT
SCHEMBL16619289 0.77 LMNA (0.59) LMNAEGFRPRKDCBRD4BRD2
SCHEMBL16619284 0.77 LMNA (0.59) LMNAEGFRPRKDCBRD4BRD2
SCHEMBL18249979 0.77 BRD4 (0.46) BRD4BRD2BRD3BRDTCYP3A4
SCHEMBL16619324 0.76 CYP3A4 (0.48) LMNABRD4BRD2BRD3BRDT

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