SCHEMBL5819639

SCHEMBL5819639

COc1ccc(-c2nc(N3CCN(C(=O)OC(C)(C)C)CC3)sc2-c2ccnc(N[C@@H](C)c3ccccc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.44
SKP1 P63208 2/20 0.44
SKP2 Q13309 2/20 0.44
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ACHE P22303 1/20 0.39
IDH1 O75874 2/20 0.39
PPARG P37231 1/20 0.39
TLR9 Q9NR96 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK14 Q16539 6/20 0.38
MAPK13 O15264 4/20 0.38
MAPK12 P53778 4/20 0.38
MAPK11 Q15759 4/20 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
SCHEMBL5818457 0.92 MAPK14 (0.47) CKS1BSKP1SKP2MAPK1MAPK14
SCHEMBL5812519 0.87 MAPK14 (0.44) CKS1BSKP1SKP2MAPK14MAPK13
SCHEMBL5819533 0.87 MAPK14 (0.43) CKS1BSKP1SKP2ACHEMAPK14
SCHEMBL5818694 0.86 CKS1B (0.39) CKS1BSKP1SKP2IDH1MAPK1
SCHEMBL5816369 0.86 CKS1B (0.41) CKS1BSKP1SKP2ACHEPPARG
SCHEMBL5819478 0.86 MAPK14 (0.55) CKS1BSKP1SKP2MAPK14MAPK13
SCHEMBL5819690 0.85 ALDH1A1 (0.49) KMT2AALDH1A1HTTNPSR1IDH1
SCHEMBL5813636 0.85 ALDH1A1 (0.48) CKS1BSKP1SKP2KMT2AALDH1A1
SCHEMBL5812762 0.85 SLC2A1 (0.48) CKS1BSKP1SKP2KMT2AALDH1A1
SCHEMBL5820567 0.84 KCNH2 (0.50) KMT2AIDH1MAPK1MAPK14MAPK13

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-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO claimed