SCHEMBL19909690

SCHEMBL19909690

COC(=O)c1sc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1-c1ccc(SC)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.46
CKS1B P61024 2/20 0.44
SKP1 P63208 2/20 0.44
SKP2 Q13309 2/20 0.44
ALDH1A1 P00352 5/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
STAT3 P40763 1/20 0.41
NR1H2 P55055 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PGK1 P00558 1/20 0.40
TP53 P04637 1/20 0.39
ALOX5 P09917 1/20 0.38
PRMT5 O14744 1/20 0.38
PIK3CA P42336 1/20 0.38
GRIA1 P42261 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
SCHEMBL16075325 0.87 CKS1B (0.47) GPR119CKS1BSKP1SKP2ALDH1A1
SCHEMBL16075324 0.86 JAK2 (0.48) GPR119CKS1BSKP1SKP2
SCHEMBL16075326 0.85 ALDH1A1 (0.50) CKS1BSKP1SKP2ALDH1A1MAPT
SCHEMBL1146996 0.79 CKS1B (0.46) GPR119CKS1BSKP1SKP2ALDH1A1
SCHEMBL16075323 0.79 CKS1B (0.47) GPR119CKS1BSKP1SKP2ALDH1A1
SCHEMBL16075313 0.78 CKS1B (0.46) CKS1BSKP1SKP2ALDH1A1MAPT
SCHEMBL3100957 0.78 KMT2A (0.64) GPR119CKS1BSKP1SKP2ALDH1A1
SCHEMBL16075342 0.77 CKS1B (0.46) GPR119CKS1BSKP1SKP2ALDH1A1
SCHEMBL16075322 0.77 SMN1; SMN2 (0.47) CKS1BSKP1SKP2ALDH1A1MAPT
SCHEMBL18939632 0.77 CKS1B (0.46) GPR119CKS1BSKP1SKP2MAPT

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