SCHEMBL8195136

SCHEMBL8195136

CN(CCO)C(=O)C1CCC(Nc2nccc(-n3ncc4ccccc43)n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 19/20 0.64
MAPK9 P45984 19/20 0.64
MAPK10 P53779 17/20 0.64
CDK2 P24941 6/20 0.48
CCNE1 P24864 5/20 0.48
CYP2C9 P11712 2/20 0.48
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCND1 P24385 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
JUN P05412 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
SCHEMBL14175727 1.00 MAPK8 (0.64) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL5096394 0.90 MAPK8 (0.62) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL5096520 0.90 MAPK8 (0.62) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL3810122 0.89 MAPK8 (0.71) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL8201467 0.89 MAPK8 (0.71) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL5102470 0.89 MAPK8 (0.71) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL473588 0.85 MAPK8 (0.68) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL5090282 0.83 MAPK8 (0.77) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL3809101 0.83 MAPK8 (0.77) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL5096260 0.81 MAPK8 (0.67) 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
WO-2008068171-A9 SUBSTITUTED PYRIMIDINES AND THEIR USE AS JNK MODULATORS HOFFMANN LA ROCHE (CH) 2009-07-16 WO disclosed
WO-2008068171-A1 SUBSTITUTED PYRIMIDINES AND THEIR USE AS JNK MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO disclosed