SCHEMBL21573318

SCHEMBL21573318

C=Cc1cccc(Nc2c(C#N)cnc3cc(C)ccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 2/20 0.52
▸ EGFR P00533 16/20 0.50
▸ ERBB2 P04626 13/20 0.50
▸ GAK O14976 2/20 0.49
▸ STK4 Q13043 1/20 0.48
▸ RAF1 P04049 1/20 0.47
▸ MAP2K1 Q02750 1/20 0.47

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
SCHEMBL19389771 0.81 EGFR (0.49) EGFRERBB2GAKSTK4
SCHEMBL21573295 0.74 EGFR (0.55) SRCEGFRERBB2GAKSTK4
SCHEMBL18933435 0.73 EGFR (0.50) SRCEGFRERBB2GAKSTK4
SCHEMBL18933434 0.73 EGFR (0.56) SRCEGFRERBB2GAKSTK4
SCHEMBL6384074 0.72 EGFR (0.74) SRCEGFRERBB2GAKRAF1
SCHEMBL1898103 0.72 EGFR (0.63) EGFRERBB2GAKSTK4
SCHEMBL6381844 0.72 EGFR (0.79) EGFRERBB2STK4
SCHEMBL19223056 0.71 EGFR (0.55) SRCEGFRERBB2GAKSTK4
SCHEMBL18949482 0.71 EGFR (0.60) SRCEGFRERBB2GAKSTK4
SCHEMBL12094771 0.70 EGFR (0.72) SRCEGFRERBB2GAKRAF1

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-3222620-B1 CYANOQUINOLINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO LTD (CN) 2019-11-20 — — EP disclosed
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