SCHEMBL626398

SCHEMBL626398

CC(C)(C)OC(=O)NC1CCC(Nc2nn3c(I)cnc3s2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FYN P06241 11/20 0.44
HASPIN Q8TF76 1/20 0.42
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
JAK1 P23458 3/20 0.39
JAK2 O60674 2/20 0.39
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
MERTK Q12866 1/20 0.38
BTK Q06187 2/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 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
SCHEMBL627106 1.00 FYN (0.44) FYNHASPINCKS1BSKP1SKP2
SCHEMBL627262 0.84 CCNA2 (0.48) FYNJAK1
SCHEMBL627225 0.82 CKS1B (0.48) CKS1BSKP1SKP2BTKJAK3
SCHEMBL627384 0.80 FYN (0.48) FYNHASPIN
SCHEMBL626399 0.79 KDM1A (0.38) CKS1BSKP1SKP2JAK1JAK2
SCHEMBL627192 0.78 BTK (0.45) CKS1BSKP1SKP2BTKJAK3
SCHEMBL626893 0.77 PIK3CA (0.49) FYNHASPIN
SCHEMBL626891 0.77 PIK3CA (0.49) FYNHASPIN
SCHEMBL628263 0.77 BTK (0.52) BTKJAK3
SCHEMBL625500 0.77 FYN (0.55) FYN

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