SCHEMBL4648911

SCHEMBL4648911

COc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(N)c3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 7/20 0.69
MAPK14 Q16539 9/20 0.68
MAPK12 P53778 4/20 0.68
MAPK11 Q15759 4/20 0.68
BRAF P15056 7/20 0.68
ABL1 P00519 2/20 0.62
AXL P30530 1/20 0.62
SRC P12931 1/20 0.60
PTK2 Q05397 1/20 0.57
RAF1 P04049 1/20 0.57

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
SCHEMBL4648035 0.94 MAPK13 (0.79) MAPK13MAPK14MAPK12MAPK11BRAF
SCHEMBL4689912 0.92 MAPK13 (0.68) MAPK13MAPK14MAPK12MAPK11BRAF
SCHEMBL14538174 0.92 MAPK13 (0.76) MAPK13MAPK14MAPK12MAPK11BRAF
SCHEMBL4689397 0.92 MAPK14 (0.69) MAPK13MAPK14MAPK12MAPK11BRAF
SCHEMBL4788187 0.91 MAPK13 (0.67) MAPK13MAPK14MAPK12MAPK11BRAF
SCHEMBL2240890 0.90 BRAF (0.74) MAPK13MAPK14MAPK12MAPK11BRAF
SCHEMBL4785151 0.90 MAPK13 (0.65) MAPK13MAPK14MAPK12MAPK11BRAF
SCHEMBL4648598 0.89 MAPK13 (0.69) MAPK13MAPK14MAPK12MAPK11BRAF
SCHEMBL4648404 0.89 MAPK13 (0.64) MAPK13MAPK14MAPK12MAPK11BRAF
SCHEMBL4648293 0.89 MAPK14 (0.68) MAPK13MAPK14MAPK12MAPK11BRAF

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960394-A2 PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Bayer HealthCare AG (DE) 2008-08-27 EP disclosed
WO-2007059202-A2 PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE AG (DE) 2007-05-24 WO disclosed