SCHEMBL7820122

SCHEMBL7820122

COc1cc[nH]c1C=C1C(=O)Nc2cccc(-c3ccccc3)c21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 16/20 0.74
CDK2 P24941 16/20 0.74
CCNE2 O96020 12/20 0.59
NPC1 O15118 1/20 0.50
CSNK1D P48730 3/20 0.47
CSNK1A1 P48729 2/20 0.47
CSNK1E P49674 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GMNN O75496 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
THPO P40225 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
SCHEMBL7820117 1.00 CCNE1 (0.74) CCNE1CDK2CCNE2NPC1CSNK1D
SCHEMBL7830230 0.90 CCNE1 (0.66) CCNE1CDK2CCNE2
SCHEMBL7830227 0.90 CCNE1 (0.66) CCNE1CDK2CCNE2
SCHEMBL7819675 0.90 CCNE1 (0.62) CCNE1CDK2CCNE2
SCHEMBL7819672 0.90 CCNE1 (0.62) CCNE1CDK2CCNE2
SCHEMBL7819744 0.88 CCNE1 (0.64) CCNE1CDK2CCNE2CSNK1DCSNK1A1
SCHEMBL7819743 0.88 CCNE1 (0.64) CCNE1CDK2CCNE2CSNK1DCSNK1A1
SCHEMBL5470703 0.85 CCNE1 (1.00) CCNE1CDK2CCNE2NPC1CSNK1D
SCHEMBL5470701 0.85 CCNE1 (1.00) CCNE1CDK2CCNE2NPC1CSNK1D
SCHEMBL7819758 0.84 CCNE1 (0.61) CCNE1CDK2CCNE2CSNK1DCSNK1A1

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 6 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
US-6307056-B1 INHIBIT OR MODULATE PROTEIN KINASES, IN PARTICULAR JNK PROTEIN KINASES. HOFFMAN-LA ROCHE INC. 2001-10-23 US 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