SCHEMBL625132

SCHEMBL625132

CC(C)(C)OC(=O)NC1CCN(c2nn3cc(-c4cnc(N)c(C(F)(F)F)c4)nc3s2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
SYK P43405 1/20 0.41
MAPT P10636 9/20 0.41
PIK3CA P42336 2/20 0.41
THRB P10828 4/20 0.41
MAP3K12 Q12852 3/20 0.41
RET P07949 1/20 0.40
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
GAA P10253 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL624991 0.95 SYK (0.45) CKS1BSKP1SKP2SYKPIK3CA
SCHEMBL625188 0.88 CKS1B (0.44) CKS1BSKP1SKP2MAPTPIK3CA
SCHEMBL625131 0.87 PIK3CA (0.49) CKS1BSKP1SKP2SYKPIK3CA
SCHEMBL626892 0.86 PIK3CA (0.42) PIK3CAMAP3K12
SCHEMBL626106 0.84 THRB (0.49) MAPTPIK3CATHRBGAARXFP1
SCHEMBL625422 0.84 PIK3CA (0.42) CKS1BSKP1SKP2MAPTPIK3CA
SCHEMBL624968 0.84 MAP3K12 (0.43) MAPTPIK3CATHRBMAP3K12GAA
SCHEMBL625621 0.83 MAP3K12 (0.46) MAPTPIK3CAMAP3K12
SCHEMBL624990 0.82 PIK3CA (0.47) SYKPIK3CAITGB2ICAM1ITGAL
SCHEMBL626464 0.82 MAPT (0.47) MAPTPIK3CATHRBMAP3K12GAA

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