SCHEMBL5817622

SCHEMBL5817622

C[C@H](Nc1nccc(-c2sc(N3CCNCC3)nc2-c2ccc(F)cc2)n1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.62
MAPK13 O15264 5/20 0.52
MAPK8 P45983 2/20 0.52
MAPK9 P45984 2/20 0.52
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
LCK P06239 1/20 0.52
LYN P07948 1/20 0.52
MAPK1 P28482 1/20 0.52
AKT2 P31751 1/20 0.52
FLT4 P35916 1/20 0.52
FLT3 P36888 1/20 0.52
FRK P42685 1/20 0.52
CSNK1A1 P48729 1/20 0.52
CSNK1D P48730 1/20 0.52
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
CSNK1G2 P78368 1/20 0.52
MAP4K2 Q12851 1/20 0.52
DYRK1A Q13627 1/20 0.52

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
SCHEMBL5814407 0.91 MAPK14 (0.57) KCNH2MAPK13MAPK8MAPK9PRKD3
SCHEMBL5823207 0.91 MAPK14 (0.56) KCNH2MAPK13MAPK9MAPK14MAPK12
SCHEMBL5820567 0.90 KCNH2 (0.50) KCNH2MAPK13MAPK8MAPK9PRKD3
SCHEMBL6215613 0.89 MAPK13 (0.51) KCNH2MAPK13MAPK8MAPK9PRKD3
SCHEMBL6215614 0.89 MAPK13 (0.51) KCNH2MAPK13MAPK8MAPK9PRKD3
SCHEMBL5818959 0.88 MAPK14 (0.51) KCNH2MAPK13MAPK8MAPK9PRKD3
SCHEMBL5819268 0.86 MAPK13 (0.55) KCNH2MAPK13MAPK9MAPK14MAPK12
SCHEMBL5820847 0.86 MAPK13 (0.54) KCNH2MAPK13MAPK9MAPK14MAPK12
SCHEMBL5815416 0.85 MAPK14 (0.71) KCNH2MAPK13MAPK9CSNK1A1CSNK1D
SCHEMBL5818457 0.83 MAPK14 (0.47) KCNH2MAPK13MAPK8MAPK9PRKD3

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