SCHEMBL18445444

SCHEMBL18445444

COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCCOC(C)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.67
RET P07949 3/20 0.64
SRC P12931 3/20 0.64
FLT4 P35916 2/20 0.64
KDR P35968 2/20 0.64
CIT O14578 1/20 0.64
GAK O14976 1/20 0.64
EPHB6 O15197 1/20 0.64
ABCC4 O15439 1/20 0.64
DAPK3 O43293 1/20 0.64
RIPK2 O43353 1/20 0.64
NR1I2 O75469 1/20 0.64
RPS6KA4 O75676 1/20 0.64
STK17B O94768 1/20 0.64
STK10 O94804 1/20 0.64
PRKD3 O94806 1/20 0.64
ABCB11 O95342 1/20 0.64
MAP4K4 O95819 1/20 0.64
CHEK2 O96017 1/20 0.64
ABL1 P00519 1/20 0.64

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
SCHEMBL19220796 0.89 EGFR (0.82) EGFRRETSRCFLT4KDR
SCHEMBL18445807 0.87 EGFR (0.81) EGFRRETSRCFLT4KDR
SCHEMBL15946868 0.87 EGFR (0.61) EGFRRETSRCFLT4KDR
SCHEMBL799681 0.87 EGFR (0.83) EGFRRETSRCFLT4KDR
SCHEMBL19220798 0.87 EGFR (0.78) EGFRRETSRCFLT4KDR
SCHEMBL15946831 0.86 EGFR (0.63) EGFRRETSRCFLT4KDR
SCHEMBL19220793 0.85 EGFR (0.82) EGFRRETSRCFLT4KDR
SCHEMBL15946835 0.85 EGFR (0.66) EGFRRETSRCFLT4KDR
SCHEMBL15946849 0.85 EGFR (0.67) EGFRRETSRCFLT4KDR
SCHEMBL15946798 0.85 EGFR (0.67) EGFRRETSRCFLT4KDR

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-2518063-B1 Pyridazinones and furan-containing compounds SLOAN-KETTERING INST FOR CANCER RES (US) 2017-02-01 EP disclosed