SCHEMBL627193

SCHEMBL627193

CC(C)(C)OC(=O)NC1CCN(c2nn3cc(I)nc3s2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.46
JAK3 P52333 1/20 0.45
CTSK P43235 2/20 0.45
PDE10A Q9Y233 3/20 0.43
SUV39H2 Q9H5I1 9/20 0.43
MAP4K4 O95819 2/20 0.42
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 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
SCHEMBL628264 0.95 BTK (0.51) BTKJAK3CTSKPDE10AMAP4K4
SCHEMBL627226 0.94 CKS1B (0.46) BTKJAK3CTSKPDE10ASUV39H2
SCHEMBL626887 0.81 CKS1B (0.48) SUV39H2CKS1BSKP1SKP2
SCHEMBL626211 0.81 IRAK1 (0.48) SUV39H2CKS1BSKP1SKP2
SCHEMBL627192 0.80 BTK (0.45) BTKJAK3CTSKPDE10ASUV39H2
SCHEMBL626399 0.78 KDM1A (0.38) BTKJAK3CTSKMAP4K4CKS1B
SCHEMBL624991 0.77 SYK (0.45) BTKSUV39H2MAP4K4CKS1BSKP1
SCHEMBL628263 0.77 BTK (0.52) BTKJAK3CTSKPDE10AMAP4K4
SCHEMBL627265 0.76 CKS1B (0.41) MAP4K4CKS1BSKP1SKP2
SCHEMBL23583209 0.75 CTSK (0.50) BTKJAK3CTSKPDE10ASUV39H2

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