SCHEMBL5818548

SCHEMBL5818548

Fc1ccc(-c2nc(NC3CCNCC3)sc2-c2ccnc(NC3CC3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.57
MAP4K4 O95819 1/20 0.57
MAPK1 P28482 1/20 0.57
MAPK8 P45983 1/20 0.57
MAPK9 P45984 1/20 0.57
CSNK1A1 P48729 1/20 0.57
CLK2 P49760 1/20 0.57
GSK3A P49840 1/20 0.57
GSK3B P49841 1/20 0.57
CSNK1G2 P78368 1/20 0.57
TAOK1 Q7L7X3 1/20 0.57
MINK1 Q8N4C8 1/20 0.57
AURKB Q96GD4 1/20 0.57
PRKD2 Q9BZL6 1/20 0.57
HIPK2 Q9H2X6 1/20 0.57
CSNK1G1 Q9HCP0 1/20 0.57
PIM2 Q9P1W9 1/20 0.57
ALK Q9UM73 1/20 0.57
CSNK1G3 Q9Y6M4 1/20 0.57
KCNH2 Q12809 6/20 0.56

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
SCHEMBL5819150 0.87 KCNH2 (0.72) KCNH2ACHE
Hydrochloric Acid SCHEMBL17629709 0.86 KCNH2 (0.71) KCNH2ACHE
Hydrochloric Acid SCHEMBL30286806 0.86 KCNH2 (0.71) KCNH2ACHE
SCHEMBL5817639 0.83 KCNH2 (0.68) PRKD3MAP4K4MAPK1MAPK8MAPK9
SCHEMBL5818589 0.83 KCNH2 (0.70) KCNH2ACHE
SCHEMBL5819392 0.83 KCNH2 (0.70) KCNH2ACHE
SCHEMBL5817797 0.83 CSNK1D (0.52) PRKD3MAP4K4MAPK1MAPK8MAPK9
SCHEMBL5815455 0.82 KCNH2 (0.69) KCNH2ACHE
SCHEMBL5813464 0.82 KCNH2 (0.69) KCNH2ACHE
SCHEMBL5814867 0.82 KCNH2 (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 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