SCHEMBL627188

SCHEMBL627188

CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1nn2cc(I)nc2s1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.40
LIMK2 P53671 1/20 0.39
GLS O94925 2/20 0.39
KDM4E B2RXH2 2/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.38
FAAH O00519 1/20 0.38
GRIN2B Q13224 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL622973 0.86 GPR119 (0.44) GPR119HPGD
SCHEMBL627337 0.86 GRIN2B (0.35) FAAHGRIN2B
SCHEMBL627187 0.81 GPR119 (0.44) GPR119LIMK2GLSKDM4EPKM
SCHEMBL624434 0.80 JAK2 (0.48) GPR119LIMK2KDM4EPKMHPGD
SCHEMBL627067 0.80 KDM4E (0.46) GPR119GLSKDM4EPKMGRIN2B
SCHEMBL625331 0.78 PIM1 (0.45) GPR119GLSKDM4EHPGDMAPT
SCHEMBL627884 0.76 CCNA2 (0.50) GPR119GLSHPGDMAPT
SCHEMBL627265 0.74 CKS1B (0.41) GPR119MAPT
SCHEMBL2394158 0.73 KDM4E (0.48) GPR119LIMK2KDM4EPKM
SCHEMBL1401260 0.71 HPGD (0.53) GPR119LIMK2KDM4EPKMHPGD

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