SCHEMBL5813786

SCHEMBL5813786

CSc1nccc(-c2sc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.47
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
KCNH2 Q12809 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
ENPP2 Q13822 1/20 0.40
MAPK14 Q16539 3/20 0.39
CSNK1D P48730 1/20 0.39
JAK3 P52333 1/20 0.39
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CSNK1E P49674 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
SQOR Q9Y6N5 1/20 0.39

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
SCHEMBL5819327 0.91 KMT2A (0.48) GRIA1CKS1BSKP1SKP2LMNA
SCHEMBL5814654 0.90 CKS1B (0.41) GRIA1CKS1BSKP1SKP2CCNA2
SCHEMBL5817521 0.87 SMARCA2 (0.41) GRIA1CKS1BSKP1SKP2MAPT
Cyclohexane SCHEMBL5820492 0.86 GRIA1 (0.47) GRIA1CKS1BSKP1SKP2KCNH2
SCHEMBL5818651 0.86 CKS1B (0.42) CKS1BSKP1SKP2MAPK14CCNA2
SCHEMBL5812752 0.86 CKS1B (0.40) CKS1BSKP1SKP2MAPK14CCNA2
SCHEMBL5819604 0.85 CKS1B (0.41) CKS1BSKP1SKP2MAPTSMN1; SMN2
SCHEMBL5812140 0.85 GRIA1 (0.46) GRIA1CKS1BSKP1SKP2KCNH2
SCHEMBL5819178 0.85 EGFR (0.46) KCNH2ENPP2
SCHEMBL5816188 0.85 CDK2 (0.44) GRIA1KCNH2MAPTMAPK1HTT

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