SCHEMBL6496113

SCHEMBL6496113

C=CC(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCN1CCCC1C(=O)OCC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.70
ERBB2 P04626 3/20 0.67
KDR P35968 7/20 0.57
BMPR1B O00238 1/20 0.51
CIT O14578 1/20 0.51
MAP2K7 O14733 1/20 0.51
GAK O14976 1/20 0.51
EPHB6 O15197 1/20 0.51
MAP3K7 O43318 1/20 0.51
RIPK2 O43353 1/20 0.51
STK17B O94768 1/20 0.51
STK10 O94804 1/20 0.51
ABL1 P00519 1/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
YES1 P07947 1/20 0.51
LYN P07948 1/20 0.51
RET P07949 1/20 0.51
MET P08581 1/20 0.51
HCK P08631 1/20 0.51

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
SCHEMBL6495591 0.98 EGFR (0.69) EGFRERBB2KDR
SCHEMBL6500373 0.87 EGFR (0.52) EGFRERBB2
SCHEMBL1418433 0.87 EGFR (0.52) EGFRERBB2
SCHEMBL1417945 0.85 EGFR (0.83) EGFRERBB2KDRBMPR1BCIT
SCHEMBL1418247 0.85 EGFR (0.83) EGFRERBB2KDRBMPR1BCIT
SCHEMBL1417881 0.85 EGFR (0.62) EGFRERBB2GAKRIPK2LCK
SCHEMBL1417882 0.85 EGFR (0.62) EGFRERBB2GAKRIPK2LCK
SCHEMBL1419134 0.84 EGFR (0.83) EGFRERBB2KDRBMPR1BCIT
SCHEMBL14356869 0.83 EGFR (1.00) EGFRERBB2KDRBMPR1BCIT
SCHEMBL3589322 0.82 EGFR (0.80) EGFRERBB2KDR

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
US-6972288-B1 4-amino-quinazoline and quinoline derivatives having an inhibitory effect on signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-12-06 US disclosed
EP-1157011-A1 4-AMINO- QUINAZOLINE AND QUINOLINE DERIVATIVES HAVING AN INHIBITORY EFFECT ON SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES Boehringer Ingelheim Pharma KG (DE) 2001-11-28 EP disclosed
WO-2000051991-A1 4-AMINO-QUINAZOLINE AND QUINOLINE DERIVATIVES HAVING AN INHIBITORY EFFECT ON SIGNAL TRANsSDUCTION MEDIATED BY TYROSINE KINASES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-08 WO disclosed