SCHEMBL18949458

SCHEMBL18949458

C=Cc1cccc(Nc2c(C#N)cnc3cc(O[C@H]4CCOC4)c(NC(=O)/C=C/CN(CCO)CCO)cc23)c1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.56
▸ ERBB2 P04626 11/20 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
SCHEMBL18949484 0.94 EGFR (0.56) EGFRERBB2
SCHEMBL18949455 0.94 EGFR (0.64) EGFRERBB2
SCHEMBL18949433 0.94 EGFR (0.56) EGFRERBB2
SCHEMBL18949445 0.92 EGFR (0.64) EGFRERBB2
SCHEMBL18933474 0.92 EGFR (0.64) EGFRERBB2
SCHEMBL19389827 0.92 EGFR (0.64) EGFRERBB2
SCHEMBL14864913 0.91 EGFR (0.68) EGFRERBB2
SCHEMBL18949459 0.89 EGFR (0.56) EGFRERBB2
SCHEMBL18933399 0.87 EGFR (0.69) EGFRERBB2
SCHEMBL21573267 0.87 EGFR (0.70) 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-9676724-B2 Cyanoquinoline derivatives TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2017-06-13 — — US disclosed
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