SCHEMBL473525

SCHEMBL473525

NC(=O)COC(=O)C1CCC(Nc2nccc(-n3nnc4ccccc43)n2)CC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 14/20 0.67
MAPK9 P45984 14/20 0.67
MAPK10 P53779 12/20 0.67
CCNE1 P24864 7/20 0.67
CDK2 P24941 7/20 0.67
CYP2C9 P11712 2/20 0.67
CDK1 P06493 1/20 0.61
CDK4 P11802 1/20 0.61
CCNB1 P14635 1/20 0.61
CCND1 P24385 1/20 0.61
MKNK1 Q9BUB5 6/20 0.45
MKNK2 Q9HBH9 6/20 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
SCHEMBL473583 0.87 MAPK8 (0.77) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL473585 0.87 MAPK8 (0.77) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL4000541 0.87 MAPK8 (0.76) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL4000544 0.87 MAPK8 (0.76) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL4133952 0.84 MAPK8 (0.72) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL473468 0.84 MAPK8 (0.78) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL4004010 0.84 MAPK8 (0.78) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL473602 0.83 MAPK8 (0.80) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL473603 0.83 MAPK8 (0.80) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL473522 0.82 MAPK8 (0.68) MAPK8MAPK9MAPK10CCNE1CDK2

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-2066319-B1 BENZOTRIAZOLE KINASE MODULATORS HOFFMANN LA ROCHE (CH) 2012-02-01 EP disclosed