SCHEMBL4603875

SCHEMBL4603875

Cn1nc(C(C)(C)C)cc1NC(=O)Nc1cc(OC2CCN(C(=O)c3ccccc3Cl)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
MAPK13 O15264 2/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
BRAF P15056 3/20 0.44
KDR P35968 3/20 0.44
BACE1 P56817 1/20 0.44
RAF1 P04049 1/20 0.41
CSF1R P07333 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
SCHEMBL2959949 0.91 MAPK14 (0.47) MAPK14LMNAMAPTMAPK13MAPK12
SCHEMBL4602968 0.88 MAPK14 (0.52) MAPK14LMNAMAPTMAPK13MAPK12
SCHEMBL4603358 0.88 MAPK14 (0.57) MAPK14LMNAMAPTMAPK13MAPK12
SCHEMBL4604505 0.86 BRAF (0.47) MAPK14LMNAMAPTMAPK13MAPK12
SCHEMBL2958959 0.84 MAPK14 (0.46) MAPK14LMNAMAPTMAPK13MAPK12
SCHEMBL2958673 0.83 MAPK14 (0.48) MAPK14LMNAMAPTMAPK13MAPK12
SCHEMBL2957789 0.82 LMNA (0.49) MAPK14LMNAMAPTMAPK13MAPK12
SCHEMBL4601877 0.82 LMNA (0.49) MAPK14LMNAMAPTMAPK13MAPK12
SCHEMBL4603229 0.82 MAPK14 (0.50) MAPK14LMNAMAPTMAPK13MAPK12
SCHEMBL2960145 0.82 MAPK14 (0.45) MAPK14LMNAMAPTMAPK13MAPK12

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