SCHEMBL6505164

SCHEMBL6505164

CCOC(=O)C1CCN(C/C=C/C(=O)Nc2cc3c(Nc4cccc(Br)c4)ncnc3cc2OC)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.66
ERBB2 P04626 16/20 0.62
ERBB4 Q15303 8/20 0.62
ERBB3 P21860 1/20 0.61
JAK3 P52333 2/20 0.60
GAK O14976 1/20 0.59
RIPK2 O43353 1/20 0.59
NR1I2 O75469 1/20 0.59
LCK P06239 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CHRM1 P11229 1/20 0.59
SRC P12931 1/20 0.59
DRD2 P14416 1/20 0.59
ADRA2C P18825 1/20 0.59
SLC6A2 P23975 1/20 0.59
MC3R P41968 1/20 0.59
SLC6A3 Q01959 1/20 0.59
PDE4D Q08499 1/20 0.59
KCNH2 Q12809 1/20 0.59
RIPK3 Q9Y572 1/20 0.59

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
SCHEMBL6505169 1.00 EGFR (0.66) EGFRERBB2ERBB4ERBB3JAK3
SCHEMBL6505438 0.91 EGFR (0.62) EGFRERBB2ERBB4ERBB3JAK3
SCHEMBL1418934 0.90 EGFR (0.65) EGFRERBB2ERBB4ERBB3JAK3
SCHEMBL1418935 0.90 EGFR (0.65) EGFRERBB2ERBB4ERBB3JAK3
SCHEMBL6495498 0.89 EGFR (0.58) EGFRERBB2ERBB4
SCHEMBL6495493 0.89 EGFR (0.58) EGFRERBB2ERBB4
SCHEMBL30115349 0.89 EGFR (0.80) EGFRERBB2ERBB4ERBB3JAK3
SCHEMBL1417881 0.88 EGFR (0.62) EGFRERBB2ERBB4ERBB3JAK3
SCHEMBL1417882 0.88 EGFR (0.62) EGFRERBB2ERBB4ERBB3JAK3
SCHEMBL1418079 0.88 EGFR (0.59) EGFRERBB2ERBB4ERBB3JAK3

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