SCHEMBL622973

SCHEMBL622973

CN(c1nn2cc(I)nc2s1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 18/20 0.44
HPGD P15428 1/20 0.41
USP30 Q70CQ3 1/20 0.40

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
SCHEMBL627188 0.86 GPR119 (0.40) GPR119HPGD
SCHEMBL622972 0.79 GPR119 (0.45) GPR119USP30
SCHEMBL627884 0.79 CCNA2 (0.50) GPR119HPGD
SCHEMBL627265 0.77 CKS1B (0.41) GPR119
SCHEMBL624922 0.77 PIK3CA (0.42) GPR119USP30
SCHEMBL627067 0.77 KDM4E (0.46) GPR119
SCHEMBL23291961 0.74 GPR119 (0.42) GPR119
SCHEMBL6532070 0.74 GPR119 (0.56) GPR119USP30
SCHEMBL628407 0.73 CYP11B2 (0.44) GPR119
SCHEMBL25170981 0.73 GPR119 (0.49) GPR119USP30

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
WO-2012020217-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed
WO-2012020215-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed