SCHEMBL9947758

SCHEMBL9947758

CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)n(-c2ccc(OCCOC(N)=O)cc2)n1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 7/20 0.74
MAPK14 Q16539 10/20 0.66
RAF1 P04049 1/20 0.62
BRAF P15056 4/20 0.60
PTK2 Q05397 2/20 0.59
MAPK12 P53778 4/20 0.58
MAPK11 Q15759 4/20 0.58
ABL1 P00519 3/20 0.57
AXL P30530 1/20 0.57
MAPK9 P45984 1/20 0.57
SRC P12931 2/20 0.55
CYP2C8 P10632 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL1410435 0.91 MAPK13 (0.78) MAPK13MAPK14RAF1BRAFPTK2
SCHEMBL1410701 0.91 MAPK13 (0.78) MAPK13MAPK14RAF1BRAFPTK2
SCHEMBL1410442 0.90 MAPK13 (0.72) MAPK13MAPK14RAF1BRAFPTK2
SCHEMBL1410646 0.90 MAPK13 (0.79) MAPK13MAPK14RAF1BRAFPTK2
SCHEMBL2253982 0.89 MAPK13 (0.75) MAPK13MAPK14RAF1BRAFPTK2
SCHEMBL1410341 0.89 MAPK13 (0.78) MAPK13MAPK14RAF1BRAFPTK2
SCHEMBL1409760 0.87 MAPK13 (0.75) MAPK13MAPK14RAF1BRAFPTK2
SCHEMBL3472215 0.86 MAPK13 (0.77) MAPK13MAPK14RAF1BRAFPTK2
SCHEMBL1410016 0.86 MAPK13 (0.71) MAPK13MAPK14RAF1BRAFPTK2
SCHEMBL1410482 0.86 MAPK13 (0.73) MAPK13MAPK14RAF1BRAFPTK2

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
US-8207166-B2 Substituted pyrazolyl urea derivatives useful in the treatment of cancer BAYER HEALTHCARE LLC (US) 2012-06-26 US disclosed