SCHEMBL13423843

SCHEMBL13423843

Cc1cccc(Oc2ccc(Nc3ncnc4ccn(CCNC(=O)CC(C)(C)O)c34)cc2C)c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.71
ERBB2 P04626 19/20 0.71
ERBB4 Q15303 9/20 0.71
ERBB3 P21860 8/20 0.71
LCK P06239 2/20 0.71
LYN P07948 2/20 0.71
MET P08581 2/20 0.71
CSK P41240 2/20 0.71
MAP2K1 Q02750 2/20 0.71
AURKB Q96GD4 2/20 0.71
BMPR1B O00238 1/20 0.71
EPHB6 O15197 1/20 0.71
MAP2K5 Q13163 1/20 0.71
NLK Q9UBE8 1/20 0.71

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
SCHEMBL13393783 0.93 EGFR (0.83) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL2748884 0.91 EGFR (0.72) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL2749509 0.91 EGFR (0.85) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3506701 0.91 EGFR (0.67) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3508533 0.89 EGFR (0.66) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL13226139 0.89 EGFR (0.69) EGFRERBB2ERBB4ERBB3LCK
Hydrochloric Acid SCHEMBL3506582 0.89 EGFR (0.69) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL2749083 0.86 EGFR (0.84) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL13679460 0.86 EGFR (0.61) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL4720756 0.85 EGFR (0.83) 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