SCHEMBL622972

SCHEMBL622972

CN(c1nn2c(I)cnc2s1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.45
USP30 Q70CQ3 1/20 0.42

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
SCHEMBL627187 0.86 GPR119 (0.44) GPR119
SCHEMBL2257063 0.80 LRRK2 (0.31) USP30
SCHEMBL622973 0.79 GPR119 (0.44) GPR119USP30
SCHEMBL627262 0.79 CCNA2 (0.48) GPR119USP30
SCHEMBL624921 0.78 PIK3CA (0.49) GPR119
SCHEMBL627264 0.77 CKS1B (0.43) GPR119
SCHEMBL622971 0.77 ALDH1A1 (0.41) GPR119USP30
SCHEMBL627066 0.77 KDM4E (0.46) GPR119
SCHEMBL626840 0.75 FYN (0.30)
SCHEMBL626842 0.75 FYN (0.30)

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