SCHEMBL6957524

SCHEMBL6957524

C#Cc1ccc2c(c1)C(=Cc1[nH]ccc1OC)C(=O)N2

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 13/20 0.71
CDK2 P24941 13/20 0.71
CCNE2 O96020 9/20 0.70
PDPK1 O15530 3/20 0.49
TLK2 Q86UE8 2/20 0.46
RET P07949 1/20 0.45
CSNK1A1 P48729 2/20 0.45
CSNK1D P48730 2/20 0.45
CSNK1E P49674 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL6957516 1.00 CCNE1 (0.71) CCNE1CDK2CCNE2PDPK1TLK2
SCHEMBL6970892 0.86 CCNE1 (0.67) CCNE1CDK2CCNE2PDPK1RET
SCHEMBL6963391 0.86 CCNE1 (0.67) CCNE1CDK2CCNE2PDPK1RET
SCHEMBL6965075 0.86 CCNE1 (0.67) CCNE1CDK2CCNE2PDPK1TLK2
SCHEMBL6965082 0.86 CCNE1 (0.67) CCNE1CDK2CCNE2PDPK1TLK2
SCHEMBL6966253 0.82 CDK2 (0.76) CCNE1CDK2CCNE2PDPK1RET
SCHEMBL6966246 0.82 CDK2 (0.76) CCNE1CDK2CCNE2PDPK1RET
SCHEMBL5477361 0.82 CCNE1 (0.76) CCNE1CDK2CCNE2RET
SCHEMBL5477365 0.82 CCNE1 (0.76) CCNE1CDK2CCNE2RET
SCHEMBL5470703 0.80 CCNE1 (1.00) CCNE1CDK2CCNE2PDPK1TLK2

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 8 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 claimed
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 claimed
EP-1149092-A2 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP claimed
WO-2000035906-A2 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO claimed
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