SCHEMBL7819675

SCHEMBL7819675

COc1cc[nH]c1C=C1C(=O)Nc2cccc(-c3ccc(C(=O)O)cc3)c21

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 17/20 0.62
CDK2 P24941 17/20 0.62
CCNE2 O96020 12/20 0.53
PIM1 P11309 1/20 0.47
MAPK8 P45983 1/20 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
SCHEMBL7819672 1.00 CCNE1 (0.62) CCNE1CDK2CCNE2PIM1MAPK8
SCHEMBL7820117 0.90 CCNE1 (0.74) CCNE1CDK2CCNE2
SCHEMBL7820122 0.90 CCNE1 (0.74) CCNE1CDK2CCNE2
SCHEMBL7830227 0.89 CCNE1 (0.66) CCNE1CDK2CCNE2MAPK8
SCHEMBL7830230 0.89 CCNE1 (0.66) CCNE1CDK2CCNE2MAPK8
SCHEMBL27556911 0.83 CCNE1 (0.53) CCNE1CDK2CCNE2MAPK8
SCHEMBL27556909 0.82 CCNE1 (0.52) CCNE1CDK2CCNE2PIM1MAPK8
SCHEMBL7820012 0.81 CCNE1 (0.61) CCNE1CDK2CCNE2MAPK8
SCHEMBL7819760 0.81 CCNE1 (0.61) CCNE1CDK2CCNE2MAPK8
SCHEMBL7819758 0.81 CCNE1 (0.61) CCNE1CDK2CCNE2MAPK8

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149093-A1 4-ARYLOXINDOLES AS INHIBITORS OF JNK PROTEIN KINASES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP claimed
WO-2000035909-A1 4-ARYLOXINDOLES AS INHIBITORS OF JNK PROTEIN KINASES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO claimed
EP-1149093-A1 4-ARYLOXINDOLES AS INHIBITORS OF JNK PROTEIN KINASES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6307056-B1 INHIBIT OR MODULATE PROTEIN KINASES, IN PARTICULAR JNK PROTEIN KINASES. HOFFMAN-LA ROCHE INC. 2001-10-23 US disclosed
WO-2000035909-A1 4-ARYLOXINDOLES AS INHIBITORS OF JNK PROTEIN KINASES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed