SCHEMBL5812944

SCHEMBL5812944

CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CC4)n3)s2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.47
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
CSNK1D P48730 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
GRIA1 P42261 1/20 0.45
MAPK14 Q16539 2/20 0.43

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
SCHEMBL5817854 0.97 KCNH2 (0.48) KCNH2PRKD3MAP4K4CDK2MAPK1
SCHEMBL5812813 0.96 KCNH2 (0.47) KCNH2PRKD3MAP4K4CDK2MAPK1
SCHEMBL5813636 0.91 ALDH1A1 (0.48) CDK2
SCHEMBL5812799 0.91 BRAF (0.49) KCNH2CDK2MAPK8
SCHEMBL5819036 0.89 CDK2 (0.49) KCNH2PRKD3MAP4K4CDK2MAPK1
SCHEMBL5819074 0.88 ALDH1A1 (0.47) KCNH2CDK2
SCHEMBL5812894 0.88 EGFR (0.50) KCNH2EGFR
SCHEMBL5817880 0.88 BRAF (0.46) KCNH2CDK2MAPK8
SCHEMBL5818673 0.88 ALDH1A1 (0.46) CDK2
SCHEMBL5816960 0.87 CDK2 (0.40) CDK2

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