SCHEMBL627192

SCHEMBL627192

CC(C)(C)OC(=O)NC1CCN(c2nn3c(I)cnc3s2)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.45
JAK3 P52333 1/20 0.45
PDE10A Q9Y233 2/20 0.45
CTSK P43235 2/20 0.45
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
SUV39H2 Q9H5I1 5/20 0.41
MAP4K4 O95819 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
SYK P43405 1/20 0.39
CFTR P13569 1/20 0.38
MET P08581 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
SCHEMBL628263 0.94 BTK (0.52) BTKJAK3PDE10ACTSKMAP4K4
SCHEMBL627225 0.94 CKS1B (0.48) BTKJAK3PDE10ACTSKCKS1B
SCHEMBL626886 0.81 CKS1B (0.50) CKS1BSKP1SKP2SUV39H2
SCHEMBL626210 0.80 IRAK1 (0.47) CKS1BSKP1SKP2SUV39H2
SCHEMBL627193 0.80 BTK (0.46) BTKJAK3PDE10ACTSKCKS1B
SCHEMBL23268357 0.79 RET (0.33) BTKJAK3PDE10ACTSKCKS1B
SCHEMBL23268405 0.79 RET (0.33) BTKJAK3PDE10ACTSKCKS1B
SCHEMBL624990 0.78 PIK3CA (0.47) MAP4K4SYK
SCHEMBL627106 0.78 FYN (0.44) BTKJAK3CKS1BSKP1SKP2
SCHEMBL626398 0.78 FYN (0.44) BTKJAK3CKS1BSKP1SKP2

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