SCHEMBL13393821

SCHEMBL13393821

Cc1cc(Nc2ncnc3ccn(CCOCCS(=O)(=O)C(C)(C)C)c23)ccc1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.66
ERBB2 P04626 20/20 0.66
ERBB3 P21860 14/20 0.65
ERBB4 Q15303 14/20 0.65
BMPR1B O00238 1/20 0.58
EPHB6 O15197 1/20 0.58
LCK P06239 1/20 0.58
LYN P07948 1/20 0.58
MET P08581 1/20 0.58
CSK P41240 1/20 0.58
MAP2K1 Q02750 1/20 0.58
MAP2K5 Q13163 1/20 0.58
AURKB Q96GD4 1/20 0.58
NLK Q9UBE8 1/20 0.58

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
SCHEMBL983022 0.92 EGFR (0.78) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL2750546 0.88 EGFR (0.83) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL13423852 0.88 EGFR (0.71) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL2747555 0.85 EGFR (0.80) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL2749210 0.85 EGFR (0.69) EGFRERBB2ERBB3ERBB4BMPR1B
Hydrochloric Acid SCHEMBL2747915 0.84 EGFR (0.68) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL2749469 0.84 EGFR (0.73) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL2747183 0.82 EGFR (0.86) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL2749041 0.82 EGFR (0.77) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL2750459 0.82 EGFR (0.89) EGFRERBB2ERBB3ERBB4

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-2010036917-A1 PREVENTION AND TREATMENT OF CANCER WITH RAS GENE MUTATION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-01 WO disclosed