SCHEMBL4187517

SCHEMBL4187517

O=C(/C=C/CC(=O)NCCCN1CCOCC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.85
ERBB2 P04626 15/20 0.85
ERBB4 Q15303 11/20 0.77
JAK3 P52333 4/20 0.77
KIT P10721 2/20 0.58
SRC P12931 2/20 0.58
ERBB3 P21860 2/20 0.58
BMPR1B O00238 1/20 0.58
CIT O14578 1/20 0.58
MAP2K7 O14733 1/20 0.58
GAK O14976 1/20 0.58
EPHB6 O15197 1/20 0.58
MAP3K7 O43318 1/20 0.58
RIPK2 O43353 1/20 0.58
STK17B O94768 1/20 0.58
STK10 O94804 1/20 0.58
ABL1 P00519 1/20 0.58
LCK P06239 1/20 0.58
FYN P06241 1/20 0.58
YES1 P07947 1/20 0.58

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
SCHEMBL2998287 0.87 EGFR (0.78) EGFRERBB2ERBB4JAK3KIT
SCHEMBL2998286 0.87 EGFR (0.78) EGFRERBB2ERBB4JAK3KIT
SCHEMBL4182379 0.85 EGFR (0.79) EGFRERBB2ERBB4JAK3KIT
SCHEMBL4344439 0.85 EGFR (0.78) EGFRERBB2ERBB4JAK3KIT
SCHEMBL8470435 0.84 EGFR (0.69) EGFRERBB2ERBB4JAK3ABL1
SCHEMBL7234742 0.82 EGFR (0.81) EGFRERBB2ERBB4JAK3KIT
SCHEMBL7221044 0.81 EGFR (0.91) EGFRERBB2ERBB4JAK3
SCHEMBL7214306 0.81 EGFR (0.90) EGFRERBB2ERBB4JAK3
SCHEMBL4184896 0.81 EGFR (0.78) EGFRERBB2ERBB4JAK3
SCHEMBL7220144 0.80 EGFR (1.00) EGFRERBB2ERBB4JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892789-B2 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2009-11-18 EP claimed
EP-0892789-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-01-27 EP claimed
WO-1997038983-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1997-10-23 WO claimed