SCHEMBL5177474

SCHEMBL5177474

COc1cc2c(Oc3ccc[c]c3F)ncnc2cc1OCCOC1CCCCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
EPHA2 P29317 1/20 0.43
BRAF P15056 9/20 0.42
RAF1 P04049 5/20 0.42
KDM1A O60341 2/20 0.42
PDGFRA P16234 2/20 0.42
RET P07949 2/20 0.42
EGFR P00533 2/20 0.42
KDR P35968 2/20 0.42
PLK4 O00444 1/20 0.42
GAK O14976 1/20 0.42
EPHB6 O15197 1/20 0.42
RIPK2 O43353 1/20 0.42
ERN1 O75460 1/20 0.42
STK10 O94804 1/20 0.42
MAP4K4 O95819 1/20 0.42
CHEK2 O96017 1/20 0.42
ABL1 P00519 1/20 0.42
ERBB2 P04626 1/20 0.42
LCK P06239 1/20 0.42

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
SCHEMBL1098029 0.80 TRPA1 (0.46) TRPA1BRAFRAF1PDGFRARET
SCHEMBL5179191 0.79 TRPA1 (0.54) TRPA1BRAFRAF1KDM1ARET
SCHEMBL4245503 0.79 KDM1A (0.65) TRPA1BRAFRAF1KDM1AEGFR
SCHEMBL1098795 0.78 ENPP1 (0.58) EPHA2KDM1AKDRERBB2EPHB4
SCHEMBL1099027 0.78 PDGFRA (0.50) BRAFRAF1PDGFRAKDRCSF1R
SCHEMBL4517992 0.75 FLT4 (0.54) BRAFRAF1PDGFRAKDRCSF1R
SCHEMBL29354598 0.74 EPHA2 (0.47) EPHA2PDGFRAKDRERBB2KIT
SCHEMBL22441582 0.74 EPHA2 (0.47) EPHA2PDGFRAKDRERBB2KIT
SCHEMBL4524921 0.73 FLT4 (0.52) BRAFRAF1PDGFRAKDRCSF1R
SCHEMBL4523620 0.73 FLT4 (0.54) BRAFRAF1PDGFRAKDRCSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802591-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040520-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2006-04-20 WO disclosed