SCHEMBL18933465

SCHEMBL18933465

C#Cc1cccc(Nc2c(C#N)cnc3cc(C)c(NCC)cc23)c1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.64
▸ GAK O14976 2/20 0.64
▸ ERBB2 P04626 15/20 0.62
▸ STK4 Q13043 3/20 0.51

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 0.85 EGFR (0.49) EGFRGAKERBB2STK4
SCHEMBL29670935 0.79 EGFR (0.67) EGFRGAKERBB2STK4
SCHEMBL28487491 0.79 EGFR (0.67) EGFRGAKERBB2STK4
SCHEMBL23443080 0.78 EGFR (0.57) EGFRGAKERBB2STK4
SCHEMBL2131741 0.78 EGFR (0.72) EGFRGAKERBB2STK4
SCHEMBL29670932 0.78 EGFR (0.72) EGFRGAKERBB2STK4
SCHEMBL30132269 0.78 EGFR (0.72) EGFRGAKERBB2STK4
SCHEMBL29670931 0.77 STK4 (0.81) EGFRGAKERBB2STK4
SCHEMBL28503961 0.77 STK4 (0.81) EGFRGAKERBB2STK4
SCHEMBL30390074 0.77 STK4 (0.81) EGFRGAKERBB2STK4

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-2581372-B1 CYANOQUINOLINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO LTD (CN) 2017-06-07 — — EP disclosed
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