SCHEMBL4604553

SCHEMBL4604553

Cc1cc(C(=O)N2CCC(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C)nn4C)c3)CC2)c(C)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.48
NTRK1 P04629 2/20 0.45
BRAF P15056 5/20 0.45
RAF1 P04049 3/20 0.45
LMNA P02545 1/20 0.43
MAPK13 O15264 4/20 0.43
MAPK12 P53778 4/20 0.42
LCK P06239 1/20 0.42
RET P07949 1/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
KDR P35968 1/20 0.42
MAPK11 Q15759 3/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL2961551 0.88 MAPK14 (0.43) MAPK14BRAFRAF1LMNAMAPK13
SCHEMBL4602968 0.86 MAPK14 (0.52) MAPK14NTRK1BRAFRAF1LMNA
SCHEMBL4602454 0.86 MAPK14 (0.52) MAPK14NTRK1BRAFRAF1LMNA
SCHEMBL4603425 0.85 MAPK14 (0.57) MAPK14NTRK1BRAFRAF1MAPK13
SCHEMBL4604914 0.85 MAPK14 (0.49) MAPK14NTRK1BRAFRAF1LMNA
SCHEMBL4603229 0.84 MAPK14 (0.50) MAPK14NTRK1BRAFRAF1LMNA
SCHEMBL4602482 0.84 MAPK14 (0.51) MAPK14NTRK1BRAFRAF1MAPK13
SCHEMBL4603544 0.84 MAPK14 (0.51) MAPK14NTRK1BRAFRAF1LMNA
SCHEMBL4603231 0.84 LMNA (0.52) MAPK14NTRK1BRAFRAF1LMNA
SCHEMBL4602985 0.84 MAPK14 (0.49) MAPK14NTRK1BRAFRAF1MAPK13

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