SCHEMBL626210

SCHEMBL626210

CC(C)(C)OC(=O)NCC1CCCN(c2nn3c(I)cnc3s2)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 1/20 0.47
PRMT5 O14744 1/20 0.42
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
LMNA P02545 4/20 0.40
TP53 P04637 1/20 0.40
ACKR3 P25106 1/20 0.38
THRB P10828 2/20 0.38
SUV39H2 Q9H5I1 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL626886 0.89 CKS1B (0.50) CKS1BSKP1SKP2LMNATP53
SCHEMBL628263 0.84 BTK (0.52)
SCHEMBL626211 0.83 IRAK1 (0.48) IRAK1PRMT5CKS1BSKP1SKP2
SCHEMBL627192 0.80 BTK (0.45) CKS1BSKP1SKP2SUV39H2
SCHEMBL627225 0.78 CKS1B (0.48) CKS1BSKP1SKP2LMNATP53
SCHEMBL23244988 0.77 KCNH2 (0.41) LMNATP53THRBRXFP1
SCHEMBL23268625 0.74 LMNA (0.39) LMNATP53THRBRXFP1
SCHEMBL23268233 0.73 HASPIN (0.41) LMNATP53THRBRXFP1
SCHEMBL803637 0.72 IRAK1 (0.49) IRAK1PRMT5CKS1BSKP1SKP2
SCHEMBL10232262 0.72 NAMPT (0.55) IRAK1PRMT5CKS1BSKP1SKP2

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