SCHEMBL4170767

SCHEMBL4170767

C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCCN(C(=O)O)CC4)cc3OC)ncc2C(F)(F)F)c1

nearest known ligand 0.86

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.86

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
SCHEMBL4176163 0.93 EGFR (1.00) EGFR
SCHEMBL2730365 0.93 EGFR (1.00) EGFR
SCHEMBL4172115 0.92 EGFR (1.00) EGFR
SCHEMBL2731806 0.91 EGFR (1.00) EGFR
SCHEMBL22745045 0.91 EGFR (0.88) EGFR
SCHEMBL4176486 0.90 EGFR (1.00) EGFR
SCHEMBL2732831 0.90 EGFR (0.95) EGFR
SCHEMBL9946946 0.89 EGFR (1.00) EGFR
SCHEMBL4179425 0.89 EGFR (0.95) EGFR
SCHEMBL2723295 0.89 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
WO-2012061299-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-05-10 WO disclosed