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SCHEMBL13423929

SCHEMBL13423929

Cc1cc(Nc2ncnc3ccn(CCN(C)C(=O)CS(C)(=O)=O)c23)ccc1Oc1cccc(OC(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.61
▸ ERBB2 P04626 19/20 0.61
▸ ERBB4 Q15303 10/20 0.61
▸ ERBB3 P21860 9/20 0.61
▸ LCK P06239 1/20 0.48
▸ LYN P07948 1/20 0.48
▸ MET P08581 1/20 0.48
▸ CSK P41240 1/20 0.48
▸ MAP2K1 Q02750 1/20 0.48
▸ AURKB Q96GD4 1/20 0.48

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
SCHEMBL2749729 0.93 EGFR (0.72) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL986551 0.88 EGFR (0.72) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL2748783 0.88 EGFR (0.72) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL2748591 0.85 EGFR (0.85) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL2749774 0.84 EGFR (0.68) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL13423820 0.84 EGFR (0.66) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL15520714 0.84 EGFR (0.67) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3507014 0.83 EGFR (0.78) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL2748630 0.83 EGFR (0.78) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL15520711 0.83 EGFR (0.66) EGFRERBB2ERBB4ERBB3LCK

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