SCHEMBL3391079

SCHEMBL3391079

Cc1ccc(-n2nc(C(C)(C)C)cc2N(OS(C)(=O)=O)C(=O)Nc2cnc(N3CCN(C(=O)C(C)(C)C)CC3)c(C(F)(F)F)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.35
EGFR P00533 1/20 0.35
MAPK14 Q16539 3/20 0.34
CDK8 P49336 2/20 0.33
CNR2 P34972 1/20 0.33
MAPK13 O15264 5/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MAPK12 P53778 2/20 0.33
MAPK11 Q15759 2/20 0.33
HSD11B1 P28845 1/20 0.33
P2RY12 Q9H244 2/20 0.32
MAPK9 P45984 1/20 0.32
PTK2 Q05397 1/20 0.32

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
SCHEMBL4602880 0.86 MAPK14 (0.43) MAPK14CDK8MAPK13CA12CA1
SCHEMBL3391073 0.83 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL3390651 0.82 SMO (0.37) MAPK14CDK8MAPK13MAPK12MAPK11
SCHEMBL3390273 0.82 MAPK14 (0.34) MAPK14CDK8MAPK13MAPK12MAPK11
SCHEMBL3392905 0.81 SMO (0.39) MAPK14CDK8MAPK13MAPK12MAPK11
SCHEMBL3390581 0.81 P2RY12 (0.37) MAPK14CNR2P2RY12PTK2
SCHEMBL3392475 0.81 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL3180430 0.79 CDK8 (0.35) MAPK14CDK8MAPK13MAPK12MAPK11
SCHEMBL4602779 0.79 MAPK13 (0.45) MAPK14CDK8MAPK13CA12CA1
SCHEMBL3389956 0.79 RAB9A (0.36) MAPK14CDK8MAPK13MAPK12MAPK11

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-1943243-B1 KINASE INHIBITORS LILLY CO ELI (US) 2010-12-29 EP disclosed