SCHEMBL5815554

SCHEMBL5815554

CCN(c1ccccc1)c1nccc(-c2sc(C3(O)CCN(C(=O)OC(C)(C)C)CC3)nc2-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.42
MAPK14 Q16539 1/20 0.39
TACR1 P25103 1/20 0.37
GPR119 Q8TDV5 4/20 0.37
CKS1B P61024 2/20 0.37
SKP1 P63208 2/20 0.37
SKP2 Q13309 2/20 0.37
GAA P10253 1/20 0.35
USP30 Q70CQ3 1/20 0.35
SCD5 Q86SK9 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
KMO O15229 1/20 0.34
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
DYRK2 Q92630 1/20 0.33

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
SCHEMBL5819125 0.92 CKS1B (0.38) SYKGPR119CKS1BSKP1SKP2
SCHEMBL5818792 0.88 MAPK14 (0.40) MAPK14GAAKMO
SCHEMBL5817801 0.82 SYK (0.45) SYKMAPK14DYRK2
SCHEMBL5818809 0.81 MAPK9 (0.48) SYKMAPK14DYRK2
SCHEMBL5813407 0.80 MAPK9 (0.48) SYKMAPK14DYRK2
SCHEMBL5815365 0.78 CKS1B (0.44) MAPK14CKS1BSKP1SKP2
SCHEMBL5819534 0.78 MAPK14 (0.38) MAPK14
SCHEMBL5819126 0.75 CCNT1 (0.43) SYKMAPK14CKS1BSKP1SKP2
SCHEMBL5818356 0.75 PTGDR2 (0.36) MAPK14KMO
SCHEMBL5819457 0.74 EGFR (0.39) MAPK14

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