SCHEMBL4133952

SCHEMBL4133952

NC(=O)CC1CCC(Nc2nccc(-n3nnc4ccccc43)n2)CC1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 12/20 0.72
MAPK9 P45984 11/20 0.72
MAPK10 P53779 9/20 0.72
CDK2 P24941 8/20 0.72
CCNE1 P24864 7/20 0.72
CYP2C9 P11712 2/20 0.72
CDK1 P06493 1/20 0.66
CDK4 P11802 1/20 0.66
CCNB1 P14635 1/20 0.66
CCND1 P24385 1/20 0.66
MKNK1 Q9BUB5 8/20 0.48
MKNK2 Q9HBH9 7/20 0.48
JUN P05412 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
SCHEMBL4000544 0.87 MAPK8 (0.76) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL4000541 0.87 MAPK8 (0.76) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL473449 0.87 MAPK8 (0.78) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL473447 0.87 MAPK8 (0.78) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL473600 0.87 MAPK8 (0.78) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL473599 0.87 MAPK8 (0.78) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL473522 0.86 MAPK8 (0.68) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL473422 0.85 MAPK8 (0.75) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL473501 0.85 MAPK8 (0.79) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL473500 0.85 MAPK8 (0.79) MAPK8MAPK9MAPK10CDK2CCNE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066319-A1 BENZOTRIAZOLE KINASE MODULATORS F. Hoffmann-Roche AG (CH) 2009-06-10 EP disclosed
WO-2008028860-A1 BENZOTRIAZOLE KINASE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-13 WO disclosed