SCHEMBL5823170

SCHEMBL5823170

O=C(O)N1CCC(O)(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CC4)n3)s2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
CDK2 P24941 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
CSNK1A1 P48729 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
CSNK1G2 P78368 1/20 0.46
TAOK1 Q7L7X3 1/20 0.46
MINK1 Q8N4C8 1/20 0.46
PRKD2 Q9BZL6 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
CSNK1G1 Q9HCP0 1/20 0.46
CSNK1G3 Q9Y6M4 1/20 0.46
MAPK14 Q16539 3/20 0.45
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45

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
SCHEMBL5820472 0.90 BRAF (0.49) CSNK1DPRKD3MAP4K4CDK2MAPK1
SCHEMBL5819508 0.89 KCNH2 (0.47) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5817914 0.88 PRKD3 (0.44) CSNK1DPRKD3MAP4K4CDK2MAPK1
SCHEMBL5818943 0.85 KCNH2 (0.46) MAPK14KCNH2
SCHEMBL5813784 0.85 DYRK2 (0.43) CSNK1DPRKD3MAP4K4CDK2MAPK1
SCHEMBL5814867 0.85 KCNH2 (0.51) PRKD3MAP4K4MAPK1MAPK8MAPK9
SCHEMBL5818443 0.85 KCNH2 (0.45) MAPK14KCNH2
SCHEMBL5818721 0.85 DYRK2 (0.43) CSNK1DPRKD3MAP4K4CDK2MAPK1
SCHEMBL5817797 0.84 CSNK1D (0.52) CSNK1DPRKD3MAP4K4CDK2MAPK1
SCHEMBL5818906 0.82 MAPK8 (0.51) PRKD3MAP4K4MAPK1MAPK8MAPK9

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 disclosed