SCHEMBL3425840

SCHEMBL3425840

O=C(O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(OCF)c4)c(Cl)c3)c21

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.69
ERBB2 P04626 20/20 0.69
ERBB3 P21860 11/20 0.69
ERBB4 Q15303 11/20 0.69
BMPR1B O00238 1/20 0.65
EPHB6 O15197 1/20 0.65
LCK P06239 1/20 0.65
LYN P07948 1/20 0.65
MET P08581 1/20 0.65
CSK P41240 1/20 0.65
MAP2K1 Q02750 1/20 0.65
MAP2K5 Q13163 1/20 0.65
AURKB Q96GD4 1/20 0.65
NLK Q9UBE8 1/20 0.65

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
SCHEMBL2747499 0.91 EGFR (0.81) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL2748925 0.89 EGFR (0.86) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL3129768 0.86 EGFR (0.77) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL2748006 0.86 EGFR (0.79) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL2749033 0.85 EGFR (0.80) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL3505986 0.84 EGFR (0.71) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL2748002 0.84 EGFR (0.64) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL2748531 0.84 EGFR (0.62) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL2748485 0.84 EGFR (0.85) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL4720756 0.82 EGFR (0.83) EGFRERBB2ERBB3ERBB4BMPR1B

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-2010036928-A1 PREVENTION AND TREATMENT OF CANCER WITH LKB1 NON-EXPRESSION (DELETION OR MUTATION) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-01 WO disclosed