SCHEMBL4602299

SCHEMBL4602299

CC(C)n1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(CN2CCN(C(=O)c3c(F)cccc3F)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.47
NTRK1 P04629 1/20 0.43
MAPK11 Q15759 2/20 0.42
ERBB2 P04626 1/20 0.42
MAPK13 O15264 1/20 0.42
MAPT P10636 1/20 0.42
MAPK12 P53778 1/20 0.42
NTRK3 Q16288 1/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41
MAPK9 P45984 1/20 0.41
DDR2 Q16832 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
SCHEMBL6143107 0.90 MAPK14 (0.55) MAPK14MAPK11ERBB2MAPK13MAPT
SCHEMBL4602560 0.88 RAB9A (0.47) MAPK14MAPK11ERBB2MAPK13MAPT
SCHEMBL4602913 0.85 MAPK14 (0.60) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL4602180 0.85 MAPK14 (0.53) MAPK14MAPK11ERBB2MAPK13MAPT
SCHEMBL2950787 0.85 MAPK14 (0.56) MAPK14MAPK13
SCHEMBL4602849 0.83 MAPK14 (0.52) MAPK14NTRK1MAPK11ERBB2MAPK13
SCHEMBL4615515 0.82 MAPK14 (0.50) MAPK14NTRK1MAPK11ERBB2MAPK13
SCHEMBL2950992 0.80 MAPK14 (0.58) MAPK14MAPK11ERBB2MAPK13MAPT
SCHEMBL4603906 0.80 MAPK14 (0.55) MAPK14MAPK11ERBB2MAPK13MAPK12
SCHEMBL2948049 0.80 MAPK14 (0.49) MAPK14MAPK11ERBB2MAPK13MAPT

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