SCHEMBL31736768

SCHEMBL31736768

Cc1sc2c(c1C)C(c1cccc(Cl)c1)=NCC(=O)N2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.65
GSK3A P49840 1/20 0.65
GSK3B P49841 1/20 0.65
ROCK1 Q13464 1/20 0.65
CAMK2B Q13554 1/20 0.65
DYRK1A Q13627 1/20 0.65
PGR P06401 3/20 0.46
ADORA3 P0DMS8 2/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
AR P10275 1/20 0.46
PDE4A P27815 1/20 0.46
ADRA1A P35348 1/20 0.46
CNR1 P21554 1/20 0.44
NTSR1 P30989 1/20 0.44
OPRK1 P41145 1/20 0.44
PDE4D Q08499 1/20 0.44
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 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
SCHEMBL7479638 0.85 CDK2 (0.47) CDK2GSK3AGSK3BROCK1CAMK2B
SCHEMBL12228130 0.80 PGR (0.48) CDK2GSK3AGSK3BROCK1CAMK2B
SCHEMBL19986220 0.74 CDK2 (0.45) CDK2GSK3AGSK3BROCK1CAMK2B
SCHEMBL22271629 0.71 CHRM1 (0.41) CDK2GSK3AGSK3BROCK1CAMK2B
SCHEMBL22271630 0.71 BRD4 (0.38) CDK2GSK3AGSK3BROCK1CAMK2B
SCHEMBL9522300 0.70 CDK2 (0.49) CDK2GSK3AGSK3BROCK1CAMK2B
SCHEMBL22271442 0.68 BRD4 (0.34) CDK2GSK3AGSK3BROCK1CAMK2B
SCHEMBL31736374 0.68 BRD4 (0.41) CDK2GSK3AGSK3BROCK1CAMK2B
SCHEMBL19986218 0.66 CDK2 (0.44) CDK2GSK3AGSK3BROCK1CAMK2B
SCHEMBL16812983 0.66 CNR1 (0.47) CDK2GSK3AGSK3BROCK1CAMK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025243001-A1 COVALENT TAG UNIVERSITY OF DUNDEE (GB) 2025-11-27 WO disclosed