SCHEMBL6237620

SCHEMBL6237620

O=C(OC1CNC(C#Cc2cc3ncnc(Nc4ccc5c(cnn5Cc5ccccc5)c4)c3s2)C1)N1CCCCC1

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.89
ERBB2 P04626 18/20 0.89

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
SCHEMBL6237242 1.00 EGFR (0.89) EGFRERBB2
SCHEMBL6232669 0.99 EGFR (0.90) EGFRERBB2
SCHEMBL6234387 0.99 EGFR (0.90) EGFRERBB2
SCHEMBL6235472 0.99 EGFR (0.90) EGFRERBB2
SCHEMBL6233019 0.99 EGFR (0.90) EGFRERBB2
SCHEMBL6241062 0.99 EGFR (0.90) EGFRERBB2
SCHEMBL6237551 0.94 EGFR (0.88) EGFRERBB2
SCHEMBL6234809 0.94 EGFR (0.88) EGFRERBB2
SCHEMBL6234814 0.94 EGFR (0.88) EGFRERBB2
SCHEMBL6237545 0.94 EGFR (0.88) 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
WO-2005007083-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 WO disclosed