SCHEMBL18949481

SCHEMBL18949481

CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(OCc4ccccc4F)c(Cl)c3)c(C#N)cnc2cc1O

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.87
▸ ERBB2 P04626 20/20 0.87
▸ SRC P12931 3/20 0.71
▸ KDR P35968 3/20 0.71
▸ STK25 O00506 2/20 0.69
▸ CHEK1 O14757 2/20 0.69
▸ GAK O14976 2/20 0.69
▸ STK17B O94768 2/20 0.69
▸ STK10 O94804 2/20 0.69
▸ MAP4K4 O95819 2/20 0.69
▸ ABL1 P00519 2/20 0.69
▸ LCK P06239 2/20 0.69
▸ FYN P06241 2/20 0.69
▸ FES P07332 2/20 0.69
▸ CSF1R P07333 2/20 0.69
▸ YES1 P07947 2/20 0.69
▸ LYN P07948 2/20 0.69
▸ MET P08581 2/20 0.69
▸ HCK P08631 2/20 0.69
▸ FGR P09769 2/20 0.69

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
SCHEMBL18949475 0.95 EGFR (0.86) EGFRERBB2SRCKDRSTK25
SCHEMBL18949452 0.94 EGFR (0.81) EGFRERBB2SRCKDRSTK25
SCHEMBL18949476 0.93 EGFR (0.79) EGFRERBB2SRCKDRSTK25
SCHEMBL18933488 0.91 EGFR (0.87) EGFRERBB2SRCKDR
SCHEMBL18949451 0.89 EGFR (0.87) EGFRERBB2SRCKDR
SCHEMBL18949472 0.89 ERBB2 (0.89) EGFRERBB2SRCKDRSTK25
SCHEMBL18949456 0.88 EGFR (0.86) EGFRERBB2SRCKDRSTK25
SCHEMBL18949429 0.87 EGFR (0.87) EGFRERBB2SRCKDRSTK25
SCHEMBL18933491 0.87 EGFR (0.78) EGFRERBB2SRCKDRSTK25
SCHEMBL14854866 0.87 EGFR (0.78) EGFRERBB2SRCKDRSTK25

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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