SCHEMBL6970892

SCHEMBL6970892

COc1cc[nH]c1C=C1C(=O)Nc2ccc(C#Cc3ccc(O)cc3)cc21

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 14/20 0.67
CDK2 P24941 14/20 0.67
CCNE2 O96020 10/20 0.66
PDPK1 O15530 2/20 0.57
RET P07949 1/20 0.53
CHEK1 O14757 1/20 0.47
KDR P35968 1/20 0.47
DHFR P00374 1/20 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
SCHEMBL6963391 1.00 CCNE1 (0.67) CCNE1CDK2CCNE2PDPK1RET
SCHEMBL6957524 0.86 CCNE1 (0.71) CCNE1CDK2CCNE2PDPK1RET
SCHEMBL6957516 0.86 CCNE1 (0.71) CCNE1CDK2CCNE2PDPK1RET
SCHEMBL6965075 0.85 CCNE1 (0.67) CCNE1CDK2CCNE2PDPK1
SCHEMBL6965082 0.85 CCNE1 (0.67) CCNE1CDK2CCNE2PDPK1
SCHEMBL6966246 0.82 CDK2 (0.76) CCNE1CDK2CCNE2PDPK1RET
SCHEMBL6966253 0.82 CDK2 (0.76) CCNE1CDK2CCNE2PDPK1RET
SCHEMBL5477365 0.80 CCNE1 (0.76) CCNE1CDK2CCNE2RET
SCHEMBL5477361 0.80 CCNE1 (0.76) CCNE1CDK2CCNE2RET
SCHEMBL6963470 0.78 PDPK1 (0.76) PDPK1RETCHEK1KDR

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