SCHEMBL16619574

SCHEMBL16619574

CC(Nc1c([N+](=O)[O-])cnc2cc(Br)c(OCC#N)cc12)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.39
PRKDC P78527 3/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
PRKCQ Q04759 2/20 0.36
KRAS P01116 1/20 0.36
SOS1 Q07889 1/20 0.36

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
SCHEMBL16619572 1.00 EGFR (0.39) EGFRPRKDCALDH1A1GAAHTT
SCHEMBL16619605 0.87 SOS1 (0.47) EGFRALDH1A1GAAHTTCRHBP
SCHEMBL16619606 0.87 SOS1 (0.47) EGFRALDH1A1GAAHTTCRHBP
SCHEMBL16618812 0.86 EGFR (0.39) EGFRALDH1A1GAAHTTCRHBP
SCHEMBL16618815 0.86 EGFR (0.39) EGFRALDH1A1GAAHTTCRHBP
SCHEMBL16619392 0.86 EGFR (0.46) EGFRPRKDCKRASSOS1
SCHEMBL16619390 0.86 EGFR (0.46) EGFRPRKDCKRASSOS1
SCHEMBL16619317 0.83 EGFR (0.38) EGFRPRKDCALDH1A1GAAHTT
SCHEMBL16619320 0.83 EGFR (0.38) EGFRPRKDCALDH1A1GAAHTT
SCHEMBL16619219 0.82 ALDH1A1 (0.49) EGFRPRKDCALDH1A1GAAHTT

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