SCHEMBL627225

SCHEMBL627225

CC(C)(C)OC(=O)NC1CCN(c2nn3c(I)cnc3s2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.48
SKP1 P63208 1/20 0.48
SKP2 Q13309 1/20 0.48
CTSK P43235 2/20 0.41
PDE10A Q9Y233 2/20 0.41
BTK Q06187 2/20 0.40
JAK3 P52333 1/20 0.40
RET P07949 1/20 0.40
LMNA P02545 2/20 0.40
KCNA3 P22001 1/20 0.40
THRB P10828 1/20 0.40
TP53 P04637 2/20 0.39
CFTR P13569 1/20 0.39
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OGFRL1 Q5TC84 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
SCHEMBL627192 0.94 BTK (0.45) CKS1BSKP1SKP2CTSKPDE10A
SCHEMBL628263 0.88 BTK (0.52) CTSKPDE10ABTKJAK3RET
SCHEMBL626886 0.85 CKS1B (0.50) CKS1BSKP1SKP2LMNATP53
SCHEMBL627106 0.82 FYN (0.44) CKS1BSKP1SKP2BTKJAK3
SCHEMBL626398 0.82 FYN (0.44) CKS1BSKP1SKP2BTKJAK3
SCHEMBL627264 0.79 CKS1B (0.43) CKS1BSKP1SKP2LMNATHRB
SCHEMBL627226 0.79 CKS1B (0.46) CKS1BSKP1SKP2CTSKPDE10A
SCHEMBL23268357 0.78 RET (0.33) CKS1BSKP1SKP2CTSKPDE10A
SCHEMBL23268405 0.78 RET (0.33) CKS1BSKP1SKP2CTSKPDE10A
SCHEMBL23244988 0.78 KCNH2 (0.41) LMNATHRBTP53RXFP1

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