SCHEMBL8196491

SCHEMBL8196491

O=C(NCC1CC1)C1CCC(Nc2nccc(-n3ncc4ccccc43)n2)CC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 19/20 0.67
MAPK9 P45984 18/20 0.67
MAPK10 P53779 16/20 0.67
CDK2 P24941 5/20 0.49
CCNE1 P24864 4/20 0.49
CYP2C9 P11712 2/20 0.48
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
JUN P05412 1/20 0.45

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
SCHEMBL3814504 1.00 MAPK8 (0.67) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL5102560 1.00 MAPK8 (0.67) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL5093797 0.88 MAPK8 (0.66) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL14175726 0.86 MAPK8 (0.64) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL14175732 0.86 MAPK8 (0.64) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL8195109 0.86 MAPK8 (0.64) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL8197149 0.86 MAPK8 (0.64) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL5102745 0.86 MAPK8 (0.63) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL8195115 0.86 MAPK8 (0.63) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL14175723 0.86 MAPK8 (0.63) 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