SCHEMBL19909670

SCHEMBL19909670

C[S+]([O-])c1ccc(-c2nc(N3CCN(C(=O)OC(C)(C)C)CC3)sc2C(N)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.43
SKP1 P63208 2/20 0.43
SKP2 Q13309 2/20 0.43
ALDH1A1 P00352 4/20 0.40
PIK3CA P42336 2/20 0.39
PARP1 P09874 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TBK1 Q9UHD2 1/20 0.38
MAP4K4 O95819 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GRIA1 P42261 1/20 0.38
GPR119 Q8TDV5 3/20 0.37
SMPD3 Q9NY59 1/20 0.37
ALOX5 P09917 2/20 0.36
KIT P10721 1/20 0.36

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
SCHEMBL16075342 0.86 CKS1B (0.46) CKS1BSKP1SKP2ALDH1A1PIK3CA
SCHEMBL16075345 0.86 GPR119 (0.48) CKS1BSKP1SKP2GPR119
SCHEMBL16075328 0.83 BTK (0.50) CKS1BSKP1SKP2ALDH1A1HTT
SCHEMBL16075343 0.77 BTK (0.50) CKS1BSKP1SKP2ALDH1A1PIK3CA
SCHEMBL16075324 0.76 JAK2 (0.48) CKS1BSKP1SKP2GPR119
SCHEMBL16075329 0.75 CKS1B (0.52) CKS1BSKP1SKP2ALDH1A1LMNA
SCHEMBL16075325 0.75 CKS1B (0.47) CKS1BSKP1SKP2ALDH1A1PIK3CA
SCHEMBL3100957 0.75 KMT2A (0.64) CKS1BSKP1SKP2ALDH1A1LMNA
SCHEMBL4938026 0.74 MAPT (0.64) ALDH1A1LMNAMAPTHTTNPSR1
SCHEMBL16075341 0.74 SCD (0.51) CKS1BSKP1SKP2TBK1

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
EP-2970163-B1 5-THIAZOLECARBOXAMIDE DERVATIVES AND THEIR USE AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-02-28 EP disclosed