SCHEMBL5813655

SCHEMBL5813655

CC(C)(C)OC(=O)N1CCC(O)(c2nc(-c3cccc(Cl)c3)c(-c3ccnc(NC4CCCC4)n3)s2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DYRK2 Q92630 2/20 0.40
DGAT1 O75907 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ADORA1 P30542 1/20 0.39
ALOX5 P09917 1/20 0.39
IDH1 O75874 1/20 0.38
IDH2 P48735 1/20 0.38
ATM Q13315 1/20 0.38
MAPK1 P28482 1/20 0.37
MAPK9 P45984 1/20 0.37
BRAF P15056 2/20 0.37
USP30 Q70CQ3 2/20 0.37
STS P08842 1/20 0.37
UCHL1 P09936 1/20 0.37
RAF1 P04049 1/20 0.37

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
SCHEMBL5819091 0.99 DGAT1 (0.40) DYRK2DGAT1HDAC8HDAC6ADORA1
SCHEMBL5816946 0.97 HDAC8 (0.40) DYRK2DGAT1HDAC8HDAC6ADORA1
SCHEMBL5819839 0.92 MAPK14 (0.42) DYRK2DGAT1IDH1IDH2MAPK9
SCHEMBL5818643 0.92 MAPK14 (0.41) DYRK2DGAT1IDH1IDH2MAPK9
SCHEMBL5819127 0.92 BRAF (0.44) DYRK2DGAT1IDH1IDH2MAPK9
SCHEMBL5818809 0.90 MAPK9 (0.48) DYRK2IDH1IDH2MAPK1MAPK9
SCHEMBL5813407 0.90 MAPK9 (0.48) DYRK2DGAT1IDH1IDH2MAPK1
SCHEMBL5814884 0.89 SYK (0.40) DYRK2DGAT1IDH1IDH2MAPK9
SCHEMBL5818628 0.89 BRAF (0.47) DYRK2IDH1IDH2BRAF
SCHEMBL5817801 0.88 SYK (0.45) DYRK2IDH1IDH2MAPK1MAPK9

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