SCHEMBL4724010

SCHEMBL4724010

Cc1cc(Nc2ncnc3ccn(CCNC(=O)O)c23)ccc1Oc1cccc(OCC(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.58
ERBB2 P04626 19/20 0.58
ERBB4 Q15303 9/20 0.55
ERBB3 P21860 8/20 0.55
LCK P06239 2/20 0.53
LYN P07948 2/20 0.53
MET P08581 2/20 0.53
CSK P41240 2/20 0.53
MAP2K1 Q02750 2/20 0.53
AURKB Q96GD4 2/20 0.53
BMPR1B O00238 1/20 0.53
EPHB6 O15197 1/20 0.53
MAP2K5 Q13163 1/20 0.53
NLK Q9UBE8 1/20 0.53

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
SCHEMBL3506701 0.91 EGFR (0.67) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3508953 0.91 EGFR (0.70) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3505834 0.90 EGFR (0.64) EGFRERBB2ERBB4ERBB3
Hydrochloric Acid SCHEMBL3506377 0.90 EGFR (0.69) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL4718049 0.89 EGFR (0.52) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3505986 0.88 EGFR (0.71) EGFRERBB2ERBB4ERBB3LCK
Hydrochloric Acid SCHEMBL3509885 0.88 EGFR (0.53) EGFRERBB2ERBB4ERBB3
SCHEMBL3508545 0.88 EGFR (0.55) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3510260 0.88 EGFR (0.51) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL2749774 0.88 EGFR (0.68) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957495-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-08-20 EP disclosed
WO-2007064045-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-07 WO disclosed