SCHEMBL4603086

SCHEMBL4603086

Cn1nc(C(C)(C)C)cc1NC(=O)Nc1cccc(OC2CCN(C(=O)c3c(Cl)cncc3Cl)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.49
MAPK14 Q16539 13/20 0.49
LMNA P02545 2/20 0.49
MAPK13 O15264 4/20 0.48
MAPK12 P53778 3/20 0.48
MAPK11 Q15759 3/20 0.48
MAPT P10636 2/20 0.48
RAF1 P04049 2/20 0.46
BRAF P15056 1/20 0.46
RET P07949 1/20 0.43
EPHB2 P29323 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL4603231 0.95 LMNA (0.52) NTRK1MAPK14LMNAMAPK13MAPK12
SCHEMBL4601552 0.91 MAPK14 (0.55) NTRK1MAPK14LMNAMAPK13MAPK12
SCHEMBL4602559 0.90 LMNA (0.49) NTRK1MAPK14LMNAMAPK13MAPK12
SCHEMBL4602968 0.89 MAPK14 (0.52) NTRK1MAPK14LMNAMAPK13MAPK12
SCHEMBL4603544 0.89 MAPK14 (0.51) NTRK1MAPK14LMNAMAPK13MAPK12
SCHEMBL2957016 0.88 MAPT (0.48) NTRK1MAPK14LMNAMAPK13MAPK12
SCHEMBL2960137 0.88 MAPK14 (0.55) MAPK14LMNAMAPK13MAPK12MAPK11
SCHEMBL4603425 0.87 MAPK14 (0.57) NTRK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL2957789 0.86 LMNA (0.49) MAPK14LMNAMAPK13MAPK12MAPK11
SCHEMBL4603660 0.85 BRAF (0.51) NTRK1MAPK14MAPK13MAPK12MAPK11

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