SCHEMBL5812752

SCHEMBL5812752

CSc1nccc(-c2sc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.40
SKP1 P63208 2/20 0.40
SKP2 Q13309 2/20 0.40
SYK P43405 2/20 0.39
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
SLC6A7 Q99884 1/20 0.38
MAPK14 Q16539 1/20 0.37
RIPK2 O43353 1/20 0.37
KMO O15229 1/20 0.36
MAP2K4 P45985 1/20 0.36
ACHE P22303 2/20 0.36
TRPA1 O75762 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 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
SCHEMBL5814654 0.91 CKS1B (0.41) CKS1BSKP1SKP2RIPK2ACHE
SCHEMBL5818651 0.90 CKS1B (0.42) CKS1BSKP1SKP2CA9MAPK14
SCHEMBL5819604 0.89 CKS1B (0.41) CKS1BSKP1SKP2RIPK2ACHE
SCHEMBL5819262 0.86 CKS1B (0.39) CKS1BSKP1SKP2SYKCA2
SCHEMBL5813699 0.86 SYK (0.46) CKS1BSKP1SKP2SYKCA2
SCHEMBL5813786 0.86 GRIA1 (0.47) CKS1BSKP1SKP2MAPK14CCNA2
SCHEMBL5819222 0.84 SYK (0.45) CKS1BSKP1SKP2SYKMAPK14
SCHEMBL5819341 0.84 MAPK14 (0.43) MAPK14RIPK2KMO
SCHEMBL5817754 0.84 SYK (0.44) SYKMAPK14RIPK2TRPV1CCNA2
SCHEMBL5819327 0.83 KMT2A (0.48) CKS1BSKP1SKP2CCNA2CDK2

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