SCHEMBL625035

SCHEMBL625035

CC(C)(C)OC(=O)NCC1CCN(c2nn3cc(-c4cccc(OC(F)(F)F)c4)nc3s2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.48
MAPT P10636 16/20 0.47
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
GAA P10253 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PIM1 P11309 1/20 0.43

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
SCHEMBL625034 0.85 PIM1 (0.54) CKS1BSKP1SKP2PIM1
SCHEMBL624017 0.83 MAPT (0.49) THRBMAPTGAA
SCHEMBL625188 0.80 CKS1B (0.44) THRBMAPTCKS1BSKP1SKP2
SCHEMBL624533 0.80 PIM1 (0.53) MAPTPIM1
SCHEMBL625512 0.79 THRB (0.44) THRBMAPTGAARXFP1PIM1
SCHEMBL13556560 0.79 CKS1B (0.48) MAPTCKS1BSKP1SKP2PIM1
SCHEMBL625742 0.79 THRB (0.43) THRBMAPTRXFP1PIM1
SCHEMBL13556558 0.79 CKS1B (0.47) CKS1BSKP1SKP2PIM1
SCHEMBL626887 0.78 CKS1B (0.48) THRBMAPTCKS1BSKP1SKP2
SCHEMBL625501 0.77 PIM1 (0.43) PIM1

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