SCHEMBL628263

SCHEMBL628263

CC(C)(C)OC(=O)NC1CCCN(c2nn3c(I)cnc3s2)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.52
JAK3 P52333 2/20 0.52
MAP4K4 O95819 2/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
RET P07949 3/20 0.44
PDE10A Q9Y233 2/20 0.43
EGFR P00533 1/20 0.42
LCK P06239 1/20 0.42
CTSK P43235 2/20 0.41
SYK P43405 1/20 0.41
AURKA O14965 3/20 0.40
PDPK1 O15530 3/20 0.40
AURKB Q96GD4 3/20 0.40
MET P08581 1/20 0.40

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
SCHEMBL627192 0.94 BTK (0.45) BTKJAK3MAP4K4CA1CA2
SCHEMBL627225 0.88 CKS1B (0.48) BTKJAK3RETPDE10ACTSK
SCHEMBL626210 0.84 IRAK1 (0.47)
SCHEMBL628264 0.82 BTK (0.51) BTKJAK3MAP4K4CA1CA2
SCHEMBL624016 0.79 PIM1 (0.49) BTKJAK3RET
SCHEMBL626886 0.78 CKS1B (0.50)
SCHEMBL23268357 0.77 RET (0.33) BTKJAK3RETPDE10ACTSK
SCHEMBL23268405 0.77 RET (0.33) BTKJAK3RETPDE10ACTSK
SCHEMBL626398 0.77 FYN (0.44) BTKJAK3
SCHEMBL627106 0.77 FYN (0.44) BTKJAK3

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