SCHEMBL19360698

SCHEMBL19360698

C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OC)c(C)c3OC)ncc2Cl)c1

nearest known ligand 0.87

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.87
ERBB2 P04626 1/20 0.71
ERBB3 P21860 1/20 0.71
ERBB4 Q15303 1/20 0.71
BTK Q06187 1/20 0.62

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
SCHEMBL2718173 0.93 EGFR (1.00) EGFRERBB2ERBB3ERBB4BTK
SCHEMBL19360704 0.91 EGFR (0.72) EGFRBTK
SCHEMBL9923764 0.90 EGFR (1.00) EGFRERBB2ERBB3ERBB4BTK
SCHEMBL19360699 0.90 EGFR (0.87) EGFR
SCHEMBL19360701 0.87 EGFR (0.88) EGFRERBB4BTK
SCHEMBL5584198 0.87 EGFR (1.00) EGFRERBB2ERBB3ERBB4BTK
SCHEMBL5584209 0.86 EGFR (1.00) EGFRERBB2ERBB3ERBB4BTK
SCHEMBL9923762 0.85 EGFR (0.82) EGFRBTK
SCHEMBL16407979 0.83 EGFR (1.00) EGFRERBB2ERBB3ERBB4BTK
SCHEMBL2716652 0.82 EGFR (1.00) EGFR

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
US-9765038-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2017-09-19 US disclosed