SCHEMBL18595836

SCHEMBL18595836

CC1CCN(C/C=C/C(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OCCCN2CCOCC2)C1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.82
ERBB2 P04626 12/20 0.82
ERBB4 Q15303 8/20 0.82
SRC P12931 3/20 0.74
KIT P10721 2/20 0.74
ERBB3 P21860 2/20 0.74
GAK O14976 2/20 0.74
RIPK2 O43353 2/20 0.74
LCK P06239 2/20 0.74
JAK3 P52333 2/20 0.74
RIPK3 Q9Y572 2/20 0.74
BMPR1B O00238 1/20 0.74
CIT O14578 1/20 0.74
MAP2K7 O14733 1/20 0.74
EPHB6 O15197 1/20 0.74
MAP3K7 O43318 1/20 0.74
STK17B O94768 1/20 0.74
STK10 O94804 1/20 0.74
ABL1 P00519 1/20 0.74
FYN P06241 1/20 0.74

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
SCHEMBL15772811 0.91 EGFR (0.84) EGFRERBB2ERBB4SRCKIT
SCHEMBL14149040 0.91 EGFR (0.84) EGFRERBB2ERBB4SRCKIT
SCHEMBL30115330 0.90 EGFR (1.00) EGFRERBB2ERBB4SRCKIT
SCHEMBL14427862 0.90 EGFR (0.95) EGFRERBB2ERBB4SRCKIT
SCHEMBL33143 0.90 EGFR (1.00) EGFRERBB2ERBB4SRCKIT
SCHEMBL18595835 0.89 EGFR (0.78) EGFRERBB2ERBB4SRCGAK
SCHEMBL12936080 0.88 EGFR (0.81) EGFRERBB2ERBB4SRCKIT
SCHEMBL18595815 0.88 EGFR (0.70) EGFRERBB2ERBB4SRCGAK
SCHEMBL15772984 0.87 EGFR (0.85) EGFRERBB2ERBB4SRCKIT
SCHEMBL15781145 0.87 EGFR (0.85) EGFRERBB2ERBB4SRCKIT

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-9586939-B2 Quinazoline derivative as tyrosine-kinase inhibitor, preparation method therefor and application thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-03-07 US disclosed