SCHEMBL3839619

SCHEMBL3839619

C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OC4CCN(S(C)(=O)=O)CC4)cc23)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.70
ERBB2 P04626 5/20 0.70
GAK O14976 2/20 0.70
ILK Q13418 2/20 0.70
PLK4 O00444 1/20 0.70
CIT O14578 1/20 0.70
AURKA O14965 1/20 0.70
EPHB6 O15197 1/20 0.70
SLC22A1 O15245 1/20 0.70
DAPK3 O43293 1/20 0.70
RIPK2 O43353 1/20 0.70
BUB1 O43683 1/20 0.70
KDM1A O60341 1/20 0.70
JAK2 O60674 1/20 0.70
RPS6KA4 O75676 1/20 0.70
STK17B O94768 1/20 0.70
STK10 O94804 1/20 0.70
SLCO2B1 O94956 1/20 0.70
ABCB11 O95342 1/20 0.70
ABL1 P00519 1/20 0.70

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
SCHEMBL14490008 0.92 FBP1 (0.69) EGFRERBB2GAKILKPLK4
SCHEMBL29623516 0.92 EGFR (0.68) EGFRERBB2GAKILKPLK4
SCHEMBL209223 0.92 EGFR (0.68) EGFRERBB2GAKILKPLK4
SCHEMBL380507 0.89 EGFR (0.66) EGFRERBB2GAKILKPLK4
SCHEMBL14489923 0.88 EGFR (0.70) EGFRERBB2GAKILKPLK4
SCHEMBL12743352 0.88 EGFR (0.73) EGFRERBB2GAKILKPLK4
SCHEMBL12536534 0.87 EGFR (0.68) EGFRERBB2GAKILKPLK4
SCHEMBL14489921 0.86 EGFR (0.67) EGFRERBB2GAKILKPLK4
SCHEMBL14489979 0.86 EGFR (0.77) EGFRERBB2GAKILKPLK4
Erlotinib SCHEMBL33835 0.86 EGFR (0.89) EGFRERBB2GAKILKPLK4

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-1682147-B1 USE OF TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORY PROCESSES BOEHRINGER INGELHEIM INT (DE) 2009-10-07 EP claimed