SCHEMBL7099826

SCHEMBL7099826

CS(=O)(=O)CCNCC1=CC(=O)C(c2cc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc3cn2)O1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.66
▸ ERBB2 P04626 13/20 0.66

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
SCHEMBL7095294 0.96 ERBB2 (0.60) EGFRERBB2
SCHEMBL5792742 0.93 EGFR (0.62) EGFRERBB2
SCHEMBL5792777 0.90 EGFR (0.61) EGFRERBB2
SCHEMBL5795480 0.90 EGFR (0.61) EGFRERBB2
SCHEMBL5796002 0.90 EGFR (0.54) EGFRERBB2
SCHEMBL7093321 0.88 ERBB2 (0.51) EGFRERBB2
SCHEMBL7149274 0.87 ERBB2 (0.60) EGFRERBB2
SCHEMBL5792052 0.84 EGFR (0.55) EGFRERBB2
SCHEMBL5793460 0.83 EGFR (0.54) EGFRERBB2
SCHEMBL5795899 0.83 EGFR (0.63) 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
EP-0912572-B1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LTD (GB) 2003-01-15 — — EP claimed
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