SCHEMBL4603544

SCHEMBL4603544

Cn1nc(C(C)(C)C)cc1NC(=O)Nc1cccc(OC2CCN(C(=O)c3c(F)cccc3F)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.51
RAF1 P04049 2/20 0.47
BRAF P15056 2/20 0.47
NTRK1 P04629 1/20 0.45
MAPK13 O15264 4/20 0.45
MAPK12 P53778 3/20 0.45
MAPK11 Q15759 3/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 2/20 0.44

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
SCHEMBL4602559 0.94 LMNA (0.49) MAPK14RAF1BRAFNTRK1MAPK13
SCHEMBL4603660 0.94 BRAF (0.51) MAPK14RAF1BRAFNTRK1MAPK13
SCHEMBL4604675 0.92 MAPK14 (0.55) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL4602454 0.92 MAPK14 (0.52) MAPK14RAF1BRAFNTRK1MAPK13
SCHEMBL2957020 0.92 MAPK14 (0.47) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL4603231 0.90 LMNA (0.52) MAPK14RAF1BRAFNTRK1MAPK13
SCHEMBL4604505 0.90 BRAF (0.47) MAPK14RAF1BRAFMAPK13MAPK12
SCHEMBL4604914 0.90 MAPK14 (0.49) MAPK14RAF1BRAFNTRK1MAPK13
SCHEMBL4603086 0.89 NTRK1 (0.49) MAPK14RAF1BRAFNTRK1MAPK13
SCHEMBL4603425 0.88 MAPK14 (0.57) MAPK14RAF1BRAFNTRK1MAPK13

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