SCHEMBL3433673

SCHEMBL3433673

Cc1cc(Cn2ncc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c32)ccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.58
ERBB2 P04626 16/20 0.58
ERBB4 Q15303 4/20 0.53
ERBB3 P21860 1/20 0.53
GAK O14976 1/20 0.53
JAK3 P52333 1/20 0.49

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
SCHEMBL2749834 0.91 EGFR (0.57) EGFRERBB2ERBB4ERBB3GAK
SCHEMBL2748385 0.88 EGFR (0.58) EGFRERBB2ERBB4ERBB3GAK
SCHEMBL2748057 0.82 EGFR (0.63) EGFRERBB2ERBB4ERBB3GAK
SCHEMBL2749626 0.80 EGFR (0.61) EGFRERBB2ERBB4ERBB3GAK
SCHEMBL2748762 0.80 ERBB2 (0.55) EGFRERBB2ERBB4ERBB3GAK
SCHEMBL4562801 0.79 EGFR (0.70) EGFRERBB2ERBB4ERBB3GAK
SCHEMBL2748695 0.78 EGFR (0.58) EGFRERBB2ERBB4ERBB3GAK
SCHEMBL2749408 0.78 EGFR (0.58) EGFRERBB2ERBB4ERBB3GAK
SCHEMBL2749939 0.76 EGFR (0.57) EGFRERBB2ERBB4ERBB3GAK
SCHEMBL3355374 0.76 EGFR (0.65) EGFRERBB2ERBB4ERBB3GAK

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