SCHEMBL29324133

SCHEMBL29324133

Cc1cc2cc(C#N)ncc2n1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.41
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRA6 Q16445 1/20 0.39
NR1H2 P55055 4/20 0.37
NR1H3 Q13133 1/20 0.36
AURKA O14965 1/20 0.33
CDK2 P24941 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
TTK P33981 1/20 0.32

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
SCHEMBL16205502 0.82 GABRG2 (0.41) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL21920779 0.78 PIK3CD (0.44) GPR119GABRG2GABRB3GABRA5GABRA1
SCHEMBL19255201 0.77 NR1H2 (0.52) GPR119GABRG2GABRB3GABRA5GABRA1
SCHEMBL32673595 0.76 CDK2 (0.44) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL12685167 0.74 NR1H2 (0.43) GPR119GABRG2GABRB3GABRA5GABRA1
SCHEMBL16608284 0.74 GABRG2 (0.38) GPR119GABRG2GABRB3GABRA5GABRA1
SCHEMBL21919931 0.74 GPR119 (0.40) GPR119GABRG2GABRB3GABRA5GABRA1
SCHEMBL6508596 0.74 NR1H2 (0.39) GPR119GABRG2GABRB3GABRA5GABRA1
SCHEMBL12685162 0.74 NR1H2 (0.39) GPR119GABRG2GABRB3GABRA5GABRA1
SCHEMBL23459080 0.73 GPR119 (0.37) GPR119GABRG2GABRB3GABRA5GABRA1

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
EP-4031547-B1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-07-17 EP disclosed