SCHEMBL16619392

SCHEMBL16619392

CC(Nc1c(N)cnc2cc(Br)c(OCC#N)cc12)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.46
PRKDC P78527 5/20 0.46
SOS1 Q07889 3/20 0.39
KRAS P01116 2/20 0.39
ERBB2 P04626 3/20 0.38
MAP3K8 P41279 2/20 0.36
PIK3CA P42336 3/20 0.36
AR P10275 1/20 0.36
TNF P01375 2/20 0.36
MAP2K1 Q02750 1/20 0.35
PIK3CB P42338 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
ATM Q13315 1/20 0.35
ATR Q13535 1/20 0.35

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
SCHEMBL16619390 1.00 EGFR (0.46) EGFRPRKDCSOS1KRASERBB2
SCHEMBL16619574 0.86 EGFR (0.39) EGFRPRKDCSOS1KRAS
SCHEMBL16619572 0.86 EGFR (0.39) EGFRPRKDCSOS1KRAS
SCHEMBL16618740 0.86 EGFR (0.51) EGFRPRKDCSOS1KRASERBB2
SCHEMBL16618743 0.86 EGFR (0.51) EGFRPRKDCSOS1KRASERBB2
SCHEMBL16618856 0.85 EGFR (0.42) EGFRPRKDCSOS1KRASERBB2
SCHEMBL16618852 0.85 EGFR (0.42) EGFRPRKDCSOS1KRASERBB2
SCHEMBL16619179 0.82 EGFR (0.45) EGFRPRKDCSOS1KRASMAP3K8
SCHEMBL16619177 0.82 EGFR (0.45) EGFRPRKDCSOS1KRASMAP3K8
SCHEMBL16619646 0.80 EGFR (0.45) EGFRPRKDCSOS1KRASTNF

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