SCHEMBL4457592

SCHEMBL4457592

COc1cc(Nc2c(C)cnc3cc(-n4cccc4)c(OC)cc23)c(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 0.54
ABL1 P00519 5/20 0.54
BCR P11274 4/20 0.54
RIPK2 O43353 2/20 0.47
EGFR P00533 2/20 0.47
NOD1 Q9Y239 1/20 0.47
ABL2 P42684 2/20 0.46
KCNH2 Q12809 2/20 0.46
STK25 O00506 1/20 0.46
CIT O14578 1/20 0.46
RIOK3 O14730 1/20 0.46
MAP2K7 O14733 1/20 0.46
CHEK1 O14757 1/20 0.46
CASK O14936 1/20 0.46
GAK O14976 1/20 0.46
EPHB6 O15197 1/20 0.46
MAP3K13 O43283 1/20 0.46
MAP3K7 O43318 1/20 0.46
NUAK1 O60285 1/20 0.46
JAK2 O60674 1/20 0.46

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
SCHEMBL1892020 0.86 SRC (0.76) SRCABL1BCRRIPK2EGFR
SCHEMBL13938749 0.72 SRC (0.86) SRCABL1BCR
SCHEMBL3228158 0.71 SRC (0.69) SRCABL1BCR
SCHEMBL22861713 0.70 SRC (1.00) SRCABL1BCRABL2
SCHEMBL1897734 0.68 SRC (0.80) SRCABL1BCRRIPK2EGFR
SCHEMBL5260184 0.68 SRC (0.58) SRCABL1BCR
SCHEMBL3990230 0.67 SRC (0.84) SRCABL1BCR
SCHEMBL2978588 0.67 SRC (0.84) SRCABL1BCREGFRABL2
SCHEMBL4967200 0.67 SRC (0.84) SRCABL1BCR
SCHEMBL5255575 0.67 SRC (0.84) SRCABL1BCR

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-2009151910-A2 COMBINATION PRODUCT OF RECEPTOR TYROSINE KINASE INHIBITOR AND FATTY ACID SYNTHASE INHIBITOR FOR TREATING CANCER WYETH (US) 2009-12-17 WO disclosed