SCHEMBL6223604

SCHEMBL6223604

O=C(O)CCc1cc2c([nH]1)CCNC2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 11/20 0.43
MAPKAPK2 P49137 9/20 0.43
CDK9 P50750 3/20 0.43
CDK2 P24941 3/20 0.43
CDK1 P06493 2/20 0.43
MAPKAPK3 Q16644 2/20 0.43
MAPKAPK5 Q8IW41 2/20 0.43
MKNK1 Q9BUB5 2/20 0.43
PKN2 Q16513 2/20 0.43
ROCK2 O75116 2/20 0.43
GSK3B P49841 2/20 0.43
PLK1 P53350 2/20 0.43
HIPK2 Q9H2X6 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
IRAK4 Q9NWZ3 2/20 0.43
PLK4 O00444 1/20 0.43
MAPK13 O15264 1/20 0.43
DAPK3 O43293 1/20 0.43
DYRK3 O43781 1/20 0.43
RPS6KA5 O75582 1/20 0.43

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
SCHEMBL6223274 0.92 CDC7 (0.42) CDC7MAPKAPK2CDK9CDK2CDK1
SCHEMBL6744024 0.81 ALDH1A1 (0.40) CDC7MAPKAPK2CDK9CDK2CDK1
SCHEMBL6746991 0.77 BRD4 (0.39) CDC7MAPKAPK2CDK9CDK2CDK1
SCHEMBL6809204 0.69 HSD17B10 (0.50) MAPK1
SCHEMBL15690360 0.67 CDC7 (0.53) CDC7MAPKAPK2CDK9CDK2CDK1
SCHEMBL15230864 0.67 MAPK1 (0.59) CDC7MAPKAPK2CDK9CDK2CDK1
SCHEMBL15243650 0.67 CDC7 (0.53) CDC7MAPKAPK2CDK9CDK2CDK1
SCHEMBL15243965 0.67 CDC7 (0.53) CDC7MAPKAPK2CDK9CDK2CDK1
SCHEMBL31607736 0.66 PLK4 (0.49) CDC7MAPKAPK2CDK9CDK2CDK1
SCHEMBL6225030 0.65 CDC7 (0.50) CDC7MAPKAPK2CDK9CDK2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572693-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS Pharmacia Corporation (US) 2005-09-14 EP disclosed
WO-2004058762-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed