SCHEMBL6971324

SCHEMBL6971324

COc1cc[nH]c1C=C1C(=O)Nc2cccc(C#CC(O)c3ccc(OCCCN(C)C)cc3)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 1.00
CCNE1 P24864 19/20 0.47
CDK2 P24941 19/20 0.47
CCNE2 O96020 17/20 0.47

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
SCHEMBL6971308 1.00 MAPK8 (1.00) MAPK8CCNE1CDK2CCNE2
SCHEMBL14040855 0.98 MAPK8 (0.96) MAPK8CCNE1CDK2CCNE2
SCHEMBL13198013 0.90 MAPK8 (0.81) MAPK8CCNE1CDK2CCNE2
SCHEMBL6958386 0.88 MAPK8 (0.78) MAPK8CCNE1CDK2CCNE2
SCHEMBL6958391 0.88 MAPK8 (0.78) MAPK8CCNE1CDK2CCNE2
SCHEMBL6965314 0.87 MAPK8 (0.77) MAPK8CCNE1CDK2CCNE2
SCHEMBL6965328 0.87 MAPK8 (0.77) MAPK8CCNE1CDK2CCNE2
SCHEMBL13207561 0.87 MAPK8 (0.76) MAPK8CCNE1CDK2CCNE2
SCHEMBL6969422 0.86 MAPK8 (0.75) MAPK8CCNE1CDK2CCNE2
SCHEMBL6968404 0.86 MAPK8 (0.75) 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 4 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
EP-1149092-A2 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
WO-2000035906-A2 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed