SCHEMBL6382792

SCHEMBL6382792

COc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 1.00
ERBB2 P04626 17/20 1.00
SRC P12931 2/20 0.88
KDR P35968 2/20 0.88
STK25 O00506 1/20 0.88
CIT O14578 1/20 0.88
CHEK1 O14757 1/20 0.88
GAK O14976 1/20 0.88
DAPK3 O43293 1/20 0.88
JAK2 O60674 1/20 0.88
STK17B O94768 1/20 0.88
STK10 O94804 1/20 0.88
MAP4K4 O95819 1/20 0.88
ABL1 P00519 1/20 0.88
LCK P06239 1/20 0.88
FYN P06241 1/20 0.88
FES P07332 1/20 0.88
CSF1R P07333 1/20 0.88
YES1 P07947 1/20 0.88
LYN P07948 1/20 0.88

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
SCHEMBL8132957 1.00 EGFR (1.00) EGFRERBB2SRCKDRSTK25
SCHEMBL1898274 0.94 EGFR (0.89) EGFRERBB2SRCKDRSTK25
Pelitinib SCHEMBL93756 0.93 EGFR (1.00) EGFRERBB2SRCKDRSTK25
Pelitinib SCHEMBL29385637 0.93 EGFR (1.00) EGFRERBB2SRCKDRSTK25
Pelitinib SCHEMBL93757 0.93 EGFR (1.00) EGFRERBB2SRCKDRSTK25
Pelitinib SCHEMBL29352012 0.93 EGFR (1.00) EGFRERBB2SRCKDRSTK25
Pelitinib SCHEMBL29349785 0.93 EGFR (1.00) EGFRERBB2SRCKDRSTK25
Pelitinib SCHEMBL29623744 0.93 EGFR (1.00) EGFRERBB2SRCKDRSTK25
SCHEMBL6380481 0.93 EGFR (1.00) EGFRERBB2SRCKDRSTK25
SCHEMBL1891553 0.92 EGFR (0.85) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263503-B1 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS WYETH CORP (US) 2005-11-02 EP claimed
EP-0973746-B1 SUBSTITUTED 3-CYANO QUINOLINES WYETH CORP (US) 2003-09-24 EP claimed
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