SCHEMBL7686992

SCHEMBL7686992

C=CC(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCN1CC(=O)OC(C)C1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.74
ERBB2 P04626 4/20 0.73
KDR P35968 5/20 0.55
KIT P10721 2/20 0.55
SRC P12931 2/20 0.55
ERBB3 P21860 2/20 0.55
ERBB4 Q15303 2/20 0.55
BMPR1B O00238 1/20 0.55
CIT O14578 1/20 0.55
MAP2K7 O14733 1/20 0.55
GAK O14976 1/20 0.55
EPHB6 O15197 1/20 0.55
MAP3K7 O43318 1/20 0.55
RIPK2 O43353 1/20 0.55
STK17B O94768 1/20 0.55
STK10 O94804 1/20 0.55
ABL1 P00519 1/20 0.55
LCK P06239 1/20 0.55
FYN P06241 1/20 0.55
YES1 P07947 1/20 0.55

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
SCHEMBL7686990 1.00 EGFR (0.74) EGFRERBB2KDRKITSRC
SCHEMBL7687027 1.00 EGFR (0.74) EGFRERBB2KDRKITSRC
SCHEMBL6904091 0.90 EGFR (0.61) EGFRERBB2KDRKITSRC
SCHEMBL7686066 0.89 EGFR (0.69) EGFRERBB2KDRKITSRC
SCHEMBL7686064 0.89 EGFR (0.69) EGFRERBB2KDRKITSRC
SCHEMBL7690111 0.89 EGFR (0.69) EGFRERBB2KDRKITSRC
SCHEMBL6906176 0.89 EGFR (0.58) EGFRERBB2KDRKITSRC
SCHEMBL1418236 0.87 EGFR (0.83) EGFRERBB2KDRKITSRC
SCHEMBL7690589 0.87 EGFR (0.74) EGFRERBB2KDRKITSRC
SCHEMBL6991337 0.87 EGFR (0.74) EGFRERBB2KDRKITSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403580-B1 HAVING AN INHIBITORY EFFECT ON SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES, THE USE THEREOF FOR TREATING DISEASES, PARTICULARLY TUMORAL DISEASES, DISEASES OF THE LUNGS AND RESPIRATORY TRACT, AND THE PREPARATION THEREOF. BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-11 US disclosed