SCHEMBL17503010

SCHEMBL17503010

CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/C[N+](C)(C)Cc1c([N+](=O)[O-])ncn1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.67
ERBB2 P04626 7/20 0.65
STK25 O00506 1/20 0.65
CIT O14578 1/20 0.65
CHEK1 O14757 1/20 0.65
GAK O14976 1/20 0.65
DAPK3 O43293 1/20 0.65
JAK2 O60674 1/20 0.65
STK17B O94768 1/20 0.65
STK10 O94804 1/20 0.65
MAP4K4 O95819 1/20 0.65
ABL1 P00519 1/20 0.65
LCK P06239 1/20 0.65
FYN P06241 1/20 0.65
FES P07332 1/20 0.65
CSF1R P07333 1/20 0.65
YES1 P07947 1/20 0.65
LYN P07948 1/20 0.65
MET P08581 1/20 0.65
HCK P08631 1/20 0.65

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
Bromide SCHEMBL867611 1.00 EGFR (0.67) EGFRERBB2STK25CITCHEK1
Trifluoroacetic Acid SCHEMBL17503023 0.97 EGFR (0.63) EGFRERBB2STK25CITCHEK1
SCHEMBL17503056 0.89 EGFR (0.68) EGFRERBB2STK25CHEK1GAK
Bromide SCHEMBL869439 0.89 EGFR (0.68) EGFRERBB2STK25CHEK1GAK
Trifluoroacetic Acid SCHEMBL868416 0.87 EGFR (0.65) EGFRERBB2STK25CHEK1GAK
Bromide SCHEMBL868424 0.82 EGFR (0.63) EGFRERBB2GAKLCKSRC
SCHEMBL17503009 0.82 EGFR (0.63) EGFRERBB2GAKLCKSRC
SCHEMBL17559179 0.81 EGFR (0.84) EGFRERBB2STK25CITCHEK1
SCHEMBL17559176 0.81 EGFR (0.84) EGFRERBB2STK25CITCHEK1
SCHEMBL6466768 0.81 EGFR (0.86) EGFRERBB2STK25CITCHEK1

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
EP-2406262-B1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LTD (NZ) 2016-02-17 EP claimed