SCHEMBL4603229

SCHEMBL4603229

Cn1nc(C(C)(C)C)cc1NC(=O)Nc1cccc(OC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.50
BRAF P15056 3/20 0.45
RAF1 P04049 3/20 0.45
MAPK13 O15264 5/20 0.43
MAPK12 P53778 5/20 0.43
MAPK11 Q15759 4/20 0.43
NTRK1 P04629 1/20 0.43
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.41
LCK P06239 1/20 0.41
RET P07949 1/20 0.41
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT1 P17948 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL2958959 0.91 MAPK14 (0.46) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL4602454 0.91 MAPK14 (0.52) MAPK14BRAFRAF1MAPK13MAPK12
SCHEMBL4602985 0.90 MAPK14 (0.49) MAPK14BRAFRAF1MAPK13MAPK12
SCHEMBL4602968 0.89 MAPK14 (0.52) MAPK14BRAFRAF1MAPK13MAPK12
SCHEMBL4603425 0.87 MAPK14 (0.57) MAPK14BRAFRAF1MAPK13MAPK12
SCHEMBL4604914 0.87 MAPK14 (0.49) MAPK14BRAFRAF1MAPK13MAPK12
SCHEMBL4603544 0.85 MAPK14 (0.51) MAPK14BRAFRAF1MAPK13MAPK12
SCHEMBL4604553 0.84 MAPK14 (0.48) MAPK14BRAFRAF1MAPK13MAPK12
SCHEMBL4603231 0.84 LMNA (0.52) MAPK14BRAFRAF1MAPK13MAPK12
SCHEMBL4603137 0.83 MAPK14 (0.54) MAPK14BRAFRAF1MAPK13MAPK12

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-1761520-B1 KINASE INHIBITORS LILLY CO ELI (US) 2008-07-09 EP disclosed