SCHEMBL6237775

SCHEMBL6237775

Nc1c(Cl)ncnc1Nc1cccc(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.61
FBP1 P09467 1/20 0.61
ERBB2 P04626 1/20 0.59
AURKA O14965 1/20 0.57
AURKB Q96GD4 1/20 0.57
INCENP Q9NQS7 1/20 0.57
ABCG2 Q9UNQ0 1/20 0.56

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
SCHEMBL3061494 0.85 EGFR (0.62) EGFRFBP1ERBB2
SCHEMBL1898192 0.81 EGFR (0.53) EGFRERBB2AURKBABCG2
SCHEMBL4272921 0.79 EGFR (0.53) EGFRFBP1AURKAAURKBINCENP
SCHEMBL6240062 0.79 EGFR (0.53) EGFRFBP1ERBB2AURKAAURKB
SCHEMBL6237576 0.79 ABCG2 (0.59) EGFRERBB2ABCG2
SCHEMBL8318036 0.78 EGFR (0.60) EGFRFBP1ABCG2
SCHEMBL17802566 0.78 ROCK1 (0.51) EGFRERBB2AURKA
SCHEMBL6215346 0.76 GRM4 (0.45) EGFRERBB2
SCHEMBL1896427 0.74 TTBK1 (0.55) EGFR
SCHEMBL29608178 0.74 EGFR (1.00) EGFRFBP1ERBB2ABCG2

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-2005009384-A2 EGFR TYROSINE KINASE INHIBITORS IMCLONE SYSTEMS INCORPORATED (US) 2005-02-03 WO disclosed