SCHEMBL6507325

SCHEMBL6507325

CCOC(=O)CN(C)CC#CC(=O)Nc1cc2c(Nc3cccc(Br)c3)c(C#N)cnc2cc1OC

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.81
▸ ERBB2 P04626 16/20 0.81
▸ GAK O14976 1/20 0.57
▸ STK4 Q13043 2/20 0.54

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
SCHEMBL8150506 0.89 EGFR (1.00) EGFRERBB2GAK
SCHEMBL1418349 0.87 EGFR (0.65) EGFRERBB2GAKSTK4
SCHEMBL1417858 0.86 EGFR (0.82) EGFRERBB2
SCHEMBL1417860 0.86 EGFR (0.82) EGFRERBB2
SCHEMBL1418316 0.85 EGFR (0.58) EGFRERBB2GAK
SCHEMBL1417887 0.84 EGFR (0.68) EGFRERBB2GAK
SCHEMBL1417889 0.84 EGFR (0.68) EGFRERBB2GAK
SCHEMBL7848639 0.84 EGFR (0.64) EGFRERBB2GAKSTK4
SCHEMBL6383794 0.83 EGFR (1.00) EGFRERBB2GAK
SCHEMBL1417992 0.82 EGFR (0.80) EGFRERBB2

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-6972288-B1 4-amino-quinazoline and quinoline derivatives having an inhibitory effect on signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-12-06 — — US disclosed
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