SCHEMBL5819262

SCHEMBL5819262

C[S+]([O-])c1nccc(-c2sc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.39
SKP1 P63208 2/20 0.39
SKP2 Q13309 2/20 0.39
SYK P43405 2/20 0.38
MAPK14 Q16539 1/20 0.38
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MAP2K4 P45985 1/20 0.37
SLC6A7 Q99884 1/20 0.37
KMO O15229 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TRPA1 O75762 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
ACHE P22303 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
MAPT P10636 1/20 0.35
RIPK2 O43353 1/20 0.35
ABL1 P00519 1/20 0.35

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
SCHEMBL5812011 0.91 CKS1B (0.40) CKS1BSKP1SKP2ACHEABCB1
SCHEMBL5818618 0.90 CKS1B (0.41) CKS1BSKP1SKP2MAPK14CA9
SCHEMBL5818699 0.89 CKS1B (0.40) CKS1BSKP1SKP2MAPK14RXFP1
SCHEMBL5812752 0.86 CKS1B (0.40) CKS1BSKP1SKP2SYKMAPK14
SCHEMBL5812140 0.86 GRIA1 (0.46) CKS1BSKP1SKP2ACHEMAPT
SCHEMBL5818696 0.85 MAPK14 (0.42) MAPK14KMORIPK2
SCHEMBL5813699 0.84 SYK (0.46) CKS1BSKP1SKP2SYKMAPK14
SCHEMBL5819400 0.84 KMT2A (0.46) CKS1BSKP1SKP2GPR119MAPT
SCHEMBL5819222 0.83 SYK (0.45) CKS1BSKP1SKP2SYKMAPK14
SCHEMBL5818413 0.83 SMARCA2 (0.40) CKS1BSKP1SKP2ACHEGPR119

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 2 patents. 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
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 disclosed