SCHEMBL8150053

SCHEMBL8150053

CCOc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)/C=C/CBr

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.84
▸ ERBB2 P04626 15/20 0.84
▸ STK4 Q13043 4/20 0.64
▸ STK25 O00506 1/20 0.62
▸ CIT O14578 1/20 0.62
▸ CHEK1 O14757 1/20 0.62
▸ GAK O14976 1/20 0.62
▸ DAPK3 O43293 1/20 0.62
▸ JAK2 O60674 1/20 0.62
▸ STK17B O94768 1/20 0.62
▸ STK10 O94804 1/20 0.62
▸ MAP4K4 O95819 1/20 0.62
▸ ABL1 P00519 1/20 0.62
▸ LCK P06239 1/20 0.62
▸ FYN P06241 1/20 0.62
▸ FES P07332 1/20 0.62
▸ CSF1R P07333 1/20 0.62
▸ YES1 P07947 1/20 0.62
▸ LYN P07948 1/20 0.62
▸ MET P08581 1/20 0.62

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
SCHEMBL6382071 1.00 EGFR (0.84) EGFRERBB2STK4STK25CIT
SCHEMBL6383772 0.93 EGFR (0.88) EGFRERBB2STK4STK25CIT
SCHEMBL8150230 0.92 EGFR (1.00) EGFRERBB2STK4STK25CIT
SCHEMBL6385833 0.92 EGFR (1.00) EGFRERBB2STK4STK25CIT
SCHEMBL6380919 0.87 EGFR (1.00) EGFRERBB2
SCHEMBL1897656 0.87 EGFR (0.83) EGFRERBB2STK4STK25CIT
SCHEMBL6380477 0.86 EGFR (0.86) EGFRERBB2GAK
SCHEMBL6381497 0.86 EGFR (0.83) EGFRERBB2GAK
SCHEMBL6381499 0.86 EGFR (0.83) EGFRERBB2GAK
SCHEMBL5499556 0.85 EGFR (0.86) EGFRERBB2STK4STK25CIT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973746-A1 SUBSTITUTED 3-CYANO QUINOLINES American Cyanamid Company (US) 2000-01-26 — — EP disclosed
WO-1998043960-A1 SUBSTITUTED 3-CYANO QUINOLINES AMERICAN CYANAMID COMPANY (US) 1998-10-08 — — WO disclosed
Send feedback