SCHEMBL5813784

SCHEMBL5813784

CC(C)(C)OC(=O)N1CCC(O)(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CCCC4)n3)s2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK2 Q92630 2/20 0.43
CDK2 P24941 2/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
CSNK1G2 P78368 1/20 0.43
TAOK1 Q7L7X3 1/20 0.43
MINK1 Q8N4C8 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
CSNK1G1 Q9HCP0 1/20 0.43
CSNK1G3 Q9Y6M4 1/20 0.43
KCNH2 Q12809 1/20 0.40
MAPK13 O15264 1/20 0.40

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
SCHEMBL5818721 0.99 DYRK2 (0.43) DYRK2CDK2PRKD3MAP4K4MAPK1
SCHEMBL5817914 0.97 PRKD3 (0.44) DYRK2CDK2PRKD3MAP4K4MAPK1
SCHEMBL5813730 0.92 ALDH1A1 (0.44) DYRK2CDK2CDK1CDK4CCNB1
SCHEMBL5819127 0.92 BRAF (0.44) DYRK2CDK2MAPK9CDK1CDK4
SCHEMBL5819436 0.91 ALDH1A1 (0.43) DYRK2CDK2CDK1CDK4CCNB1
SCHEMBL5814237 0.89 ALDH1A1 (0.45) DYRK2CDK2MAPK1CCNA2SYK
SCHEMBL5818628 0.88 BRAF (0.47) DYRK2CDK2CCNA2SYKBRAF
SCHEMBL5819146 0.88 DYRK2 (0.39) DYRK2CDK2MAPK8MAPK9CDK1
SCHEMBL5819839 0.88 MAPK14 (0.42) DYRK2CDK2MAPK9MAPK14CDK1
SCHEMBL5812749 0.88 DYRK2 (0.39) DYRK2CDK2CDK1CDK4CCNB1

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