SCHEMBL13023936

SCHEMBL13023936

C=C(NCc1ccco1)N1CCC(Nc2nccc(-c3c(-c4cccc(OC)c4)nc4sccn34)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 19/20 0.53
BRAF P15056 19/20 0.53
PTK2 Q05397 1/20 0.48
CDK19 Q9BWU1 1/20 0.48
ERN1 O75460 1/20 0.47
ABL1 P00519 1/20 0.47
FGFR1 P11362 1/20 0.47
FLT3 P36888 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
NTRK2 Q16620 1/20 0.47
HIPK1 Q86Z02 1/20 0.47
MAP3K20 Q9NYL2 1/20 0.47

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
SCHEMBL2745578 0.93 RAF1 (0.55) RAF1BRAFPTK2CDK19ERN1
SCHEMBL2745963 0.87 RAF1 (0.53) RAF1BRAFPTK2CDK19ERN1
SCHEMBL2746031 0.84 RAF1 (0.61) RAF1BRAFERN1ABL1FGFR1
SCHEMBL2746718 0.83 BRAF (0.60) RAF1BRAFERN1ABL1FGFR1
SCHEMBL2745611 0.80 BRAF (0.48) RAF1BRAFERN1ABL1FGFR1
SCHEMBL2746370 0.80 RAF1 (0.62) RAF1BRAFERN1ABL1FGFR1
SCHEMBL14392018 0.80 RAF1 (0.57) RAF1BRAFPTK2CDK19ERN1
SCHEMBL3811246 0.79 RAF1 (0.61) RAF1BRAFERN1ABL1FGFR1
SCHEMBL2745625 0.79 RAF1 (0.55) RAF1BRAFERN1ABL1FGFR1
SCHEMBL2745347 0.78 RAF1 (0.55) RAF1BRAFPTK2CDK19ERN1

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-2258704-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase ArQule, Inc. (US) 2010-12-08 EP disclosed