SCHEMBL6965034

SCHEMBL6965034

COc1cc[nH]c1/C=C1\C(=O)Nc2cccc(C#CC(O)c3ccc(OCC(=O)OC(C)(C)C)cc3)c21

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.72
CCNE1 P24864 19/20 0.46
CDK2 P24941 19/20 0.46
CCNE2 O96020 17/20 0.46

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
SCHEMBL6965043 1.00 MAPK8 (0.72) MAPK8CCNE1CDK2CCNE2
SCHEMBL6965314 0.90 MAPK8 (0.77) MAPK8CCNE1CDK2CCNE2
SCHEMBL6965328 0.90 MAPK8 (0.77) MAPK8CCNE1CDK2CCNE2
SCHEMBL6958391 0.87 MAPK8 (0.78) MAPK8CCNE1CDK2CCNE2
SCHEMBL6958386 0.87 MAPK8 (0.78) MAPK8CCNE1CDK2CCNE2
SCHEMBL6966828 0.84 MAPK8 (0.74) MAPK8CCNE1CDK2CCNE2
SCHEMBL6967376 0.84 MAPK8 (0.74) MAPK8CCNE1CDK2CCNE2
SCHEMBL6967389 0.84 MAPK8 (0.74) MAPK8CCNE1CDK2CCNE2
SCHEMBL6971324 0.84 MAPK8 (1.00) MAPK8CCNE1CDK2CCNE2
SCHEMBL6966602 0.84 MAPK8 (0.65) MAPK8CCNE1CDK2CCNE2

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-1149092-B1 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES HOFFMANN LA ROCHE (CH) 2003-10-29 EP disclosed
US-6313310-B1 JUN N-TERMINAL KINASE (JNK) ENZYME INHIBITORS; ANTIINFLAMMATORY AGENTS; RHEUMATIC ARTHRITIS AND NEURO-DEGENERATIVE DISEASE TREATMENT HOFFMANN-LA ROCHE INC. 2001-11-06 US disclosed