SCHEMBL13042721

SCHEMBL13042721

Cc1cc(Nc2ncnc3c(O)cn(CCNC(=O)CC(C)(C)O)c23)ccc1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.67
ERBB2 P04626 19/20 0.67
ERBB3 P21860 12/20 0.67
ERBB4 Q15303 12/20 0.67
BMPR1B O00238 1/20 0.67
EPHB6 O15197 1/20 0.67
LCK P06239 1/20 0.67
LYN P07948 1/20 0.67
MET P08581 1/20 0.67
CSK P41240 1/20 0.67
MAP2K1 Q02750 1/20 0.67
MAP2K5 Q13163 1/20 0.67
AURKB Q96GD4 1/20 0.67
NLK Q9UBE8 1/20 0.67

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
SCHEMBL985587 0.93 EGFR (0.78) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL2749509 0.88 EGFR (0.85) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL15580309 0.82 EGFR (0.84) EGFRERBB2ERBB3ERBB4BMPR1B
Tak-285 SCHEMBL982278 0.80 EGFR (1.00) EGFRERBB2ERBB3ERBB4BMPR1B
Tak-285 SCHEMBL29355721 0.80 EGFR (1.00) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL2748884 0.79 EGFR (0.72) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL13423843 0.79 EGFR (0.71) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL2747183 0.79 EGFR (0.86) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL2749469 0.79 EGFR (0.73) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL13393668 0.79 EGFR (0.72) 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
EP-2255830-A1 CONCOMITANT DRUG Takeda Pharmaceutical Company Limited (JP) 2010-12-01 EP disclosed