SCHEMBL4722653

SCHEMBL4722653

CC(C)(CO)Cc1cccc(Oc2ccc(Nc3ncnc4ccn(CCOCCO)c34)cc2Cl)c1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.78
ERBB2 P04626 19/20 0.78
ERBB3 P21860 17/20 0.78
ERBB4 Q15303 17/20 0.78

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
SCHEMBL3505569 0.89 EGFR (0.85) EGFRERBB2ERBB3ERBB4
SCHEMBL2748571 0.88 EGFR (1.00) EGFRERBB2ERBB3ERBB4
SCHEMBL3505219 0.87 EGFR (0.79) EGFRERBB2ERBB3ERBB4
SCHEMBL3506298 0.87 EGFR (0.86) EGFRERBB2ERBB3ERBB4
SCHEMBL14494850 0.87 EGFR (0.86) EGFRERBB2ERBB3ERBB4
SCHEMBL3509502 0.87 EGFR (0.78) EGFRERBB2ERBB3ERBB4
SCHEMBL3506694 0.86 EGFR (0.74) EGFRERBB2ERBB3ERBB4
Hydrochloric Acid SCHEMBL3506386 0.86 EGFR (0.85) EGFRERBB2ERBB3ERBB4
SCHEMBL3506249 0.86 EGFR (0.86) EGFRERBB2ERBB3ERBB4
SCHEMBL3509835 0.86 EGFR (0.76) 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 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