SCHEMBL16619177

SCHEMBL16619177

C[C@@H](Nc1c(N)cnc2cc(Br)c(CCCC#N)cc12)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.45
PRKDC P78527 5/20 0.45
PIK3CA P42336 3/20 0.35
MAP3K8 P41279 2/20 0.35
AR P10275 1/20 0.35
TNF P01375 2/20 0.35
ATM Q13315 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
ATR Q13535 1/20 0.34
HTR7 P34969 3/20 0.33
KRAS P01116 2/20 0.33
SOS1 Q07889 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL16619179 1.00 EGFR (0.45) EGFRPRKDCPIK3CAMAP3K8AR
SCHEMBL16619320 0.86 EGFR (0.38) EGFRPRKDCPIK3CAALDH1A1
SCHEMBL16619317 0.86 EGFR (0.38) EGFRPRKDCPIK3CAALDH1A1
SCHEMBL16619487 0.83 EGFR (0.39) EGFRPRKDCTNF
SCHEMBL16619390 0.82 EGFR (0.46) EGFRPRKDCPIK3CAMAP3K8AR
SCHEMBL16619392 0.82 EGFR (0.46) EGFRPRKDCPIK3CAMAP3K8AR
SCHEMBL16618978 0.81 PRKDC (0.41) EGFRPRKDCPIK3CATNFATM
SCHEMBL16619383 0.81 PARP1 (0.43) EGFRPRKDCALDH1A1HPGD
SCHEMBL16618854 0.81 LMNA (0.42) EGFRPRKDC
SCHEMBL16619646 0.79 EGFR (0.45) EGFRPRKDCTNFKRASSOS1

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