SCHEMBL3355374

SCHEMBL3355374

CC(=O)On1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c21

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.65
ERBB2 P04626 16/20 0.65
GAK O14976 1/20 0.60
ERBB4 Q15303 3/20 0.59
ERBB3 P21860 1/20 0.59

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
SCHEMBL2749491 0.85 EGFR (0.69) EGFRERBB2GAKERBB4ERBB3
SCHEMBL2748409 0.84 EGFR (0.61) EGFRERBB2GAKERBB4ERBB3
SCHEMBL2749046 0.84 EGFR (0.67) EGFRERBB2GAKERBB4ERBB3
SCHEMBL3906165 0.83 EGFR (0.61) EGFRERBB2GAKERBB4ERBB3
SCHEMBL2747956 0.82 ERBB2 (0.67) EGFRERBB2GAKERBB4ERBB3
SCHEMBL2750500 0.82 EGFR (0.65) EGFRERBB2GAKERBB4ERBB3
SCHEMBL2747906 0.82 EGFR (0.58) EGFRERBB2GAKERBB4ERBB3
SCHEMBL2750201 0.81 EGFR (0.64) EGFRERBB2GAKERBB4ERBB3
SCHEMBL2749408 0.81 EGFR (0.58) EGFRERBB2GAKERBB4ERBB3
SCHEMBL2749048 0.81 EGFR (0.64) EGFRERBB2GAKERBB4ERBB3

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-2010036910-A1 HEART PROTECTION BY ADMINISTERING AN AMP-ACTIVATED PROTEIN KINASE ACTIVATOR OHTA YOSHIKAZU (JP) 2010-04-01 WO disclosed