SCHEMBL3795753

SCHEMBL3795753

C#Cc1c[c]ccc1-c1ncnc2cc(OCCOC)c(OCCCl)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.47
ILK Q13418 4/20 0.47
KIT P10721 7/20 0.44
KDM1A O60341 5/20 0.43
ERBB2 P04626 4/20 0.43
PLK4 O00444 1/20 0.43
CIT O14578 1/20 0.43
AURKA O14965 1/20 0.43
GAK O14976 1/20 0.43
EPHB6 O15197 1/20 0.43
SLC22A1 O15245 1/20 0.43
DAPK3 O43293 1/20 0.43
RIPK2 O43353 1/20 0.43
BUB1 O43683 1/20 0.43
JAK2 O60674 1/20 0.43
RPS6KA4 O75676 1/20 0.43
STK17B O94768 1/20 0.43
STK10 O94804 1/20 0.43
SLCO2B1 O94956 1/20 0.43
ABCB11 O95342 1/20 0.43

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
SCHEMBL4558198 1.00 EGFR (0.47) EGFRILKKITKDM1AERBB2
SCHEMBL2047588 0.95 EGFR (0.51) EGFRILKKITKDM1AERBB2
SCHEMBL3344457 0.76 EGFR (0.52) EGFRILKKITKDM1AERBB2
SCHEMBL8687858 0.72 KIT (0.50) EGFRKITGAKRIPK2STK10
SCHEMBL5359866 0.71 EGFR (0.52) EGFRILKKITKDM1AERBB2
SCHEMBL1507551 0.70 ENPP1 (0.64) EGFRKDM1AGAKFLT1FLT4
SCHEMBL1507495 0.70 ENPP1 (0.64) EGFRKDM1AGAKFLT1FLT4
Hydrochloric Acid SCHEMBL4473967 0.70 EGFR (0.52) EGFRILKKITKDM1AERBB2
SCHEMBL180323 0.67 EGFR (0.48) EGFRILKKITKDM1AERBB2
SCHEMBL1507587 0.67 EGFR (0.90) EGFRILKKITKDM1AERBB2

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
WO-2010120387-A1 OLIGOMER-PROTEIN TYROSINE KINASE INHIBITOR CONJUGATES NEKTAR THERAPEUTICS (US) 2010-10-21 WO disclosed