SCHEMBL16619606

SCHEMBL16619606

COc1cc2c(NC(C)c3ccccc3)c([N+](=O)[O-])cnc2cc1Br

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 3/20 0.47
EGFR P00533 2/20 0.47
KRAS P01116 2/20 0.47
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42

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
SCHEMBL16619605 1.00 SOS1 (0.47) SOS1EGFRKRASPOLBALDH1A1
SCHEMBL16618812 0.90 EGFR (0.39) SOS1EGFRKRASALDH1A1GAA
SCHEMBL16618815 0.90 EGFR (0.39) SOS1EGFRKRASALDH1A1GAA
SCHEMBL16619574 0.87 EGFR (0.39) SOS1EGFRKRASALDH1A1GAA
SCHEMBL16619572 0.87 EGFR (0.39) SOS1EGFRKRASALDH1A1GAA
SCHEMBL16619219 0.87 ALDH1A1 (0.49) EGFRPOLBALDH1A1GAAHTT
SCHEMBL16619217 0.87 ALDH1A1 (0.49) EGFRPOLBALDH1A1GAAHTT
SCHEMBL16618740 0.84 EGFR (0.51) SOS1EGFRKRASALDH1A1GAA
SCHEMBL16618743 0.84 EGFR (0.51) SOS1EGFRKRASALDH1A1GAA
SCHEMBL16619418 0.84 KDM4E (0.46) POLBALDH1A1GAAHTTCRHBP

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