SCHEMBL7216617

SCHEMBL7216617

O=C(C#CCCN1CCOCC1)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 1.00
ERBB2 P04626 15/20 1.00
ERBB4 Q15303 13/20 1.00

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
SCHEMBL7214608 0.95 EGFR (0.91) EGFRERBB2ERBB4
SCHEMBL7221038 0.95 EGFR (0.90) EGFRERBB2ERBB4
SCHEMBL7220355 0.91 EGFR (0.84) EGFRERBB2ERBB4
SCHEMBL7220144 0.91 EGFR (1.00) EGFRERBB2ERBB4
SCHEMBL7221044 0.86 EGFR (0.91) EGFRERBB2ERBB4
SCHEMBL7214306 0.86 EGFR (0.90) EGFRERBB2ERBB4
SCHEMBL7214801 0.85 EGFR (0.85) EGFRERBB2ERBB4
SCHEMBL7219786 0.83 EGFR (0.71) EGFRERBB2ERBB4
SCHEMBL7213879 0.82 EGFR (0.84) EGFRERBB2ERBB4
SCHEMBL8629162 0.81 EGFR (0.79) EGFRERBB2ERBB4

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-6602863-B1 Irreversible inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY 2003-08-05 US disclosed