SCHEMBL19389768

SCHEMBL19389768

C=Cc1cccc(Nc2c(C#N)cnc3cc(OC4CCCC4)c(NC(=C)/C=C/CN(CC)CC)cc23)c1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.53
▸ ERBB2 P04626 16/20 0.53
▸ STK4 Q13043 2/20 0.46

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
SCHEMBL18949455 0.86 EGFR (0.64) EGFRERBB2STK4
SCHEMBL18933435 0.86 EGFR (0.50) EGFRERBB2STK4
SCHEMBL19389849 0.81 EGFR (0.56) EGFRERBB2
SCHEMBL18933398 0.80 EGFR (0.61) EGFRERBB2
SCHEMBL19389827 0.80 EGFR (0.64) EGFRERBB2STK4
SCHEMBL18933474 0.80 EGFR (0.64) EGFRERBB2STK4
SCHEMBL18949445 0.80 EGFR (0.64) EGFRERBB2STK4
SCHEMBL18949458 0.80 EGFR (0.56) EGFRERBB2
SCHEMBL18949433 0.80 EGFR (0.56) EGFRERBB2
SCHEMBL18949482 0.80 EGFR (0.60) EGFRERBB2STK4

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-A1 CYANOQUINOLINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2017-09-27 — — EP disclosed
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