SCHEMBL5820567

SCHEMBL5820567

COc1ccc(-c2nc(N3CCNCC3)sc2-c2ccnc(N[C@@H](C)c3ccccc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.50
MAPK14 Q16539 10/20 0.48
MAPK13 O15264 10/20 0.48
MAPK12 P53778 9/20 0.48
MAPK11 Q15759 9/20 0.48
KMT2A Q03164 1/20 0.46
IDH1 O75874 2/20 0.41
MAPK9 P45984 3/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
LCK P06239 1/20 0.41
LYN P07948 1/20 0.41
MAPK1 P28482 1/20 0.41
AKT2 P31751 1/20 0.41
FLT4 P35916 1/20 0.41
FLT3 P36888 1/20 0.41
FRK P42685 1/20 0.41
MAPK8 P45983 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41

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
SCHEMBL5819690 0.92 ALDH1A1 (0.49) KCNH2MAPK14MAPK13MAPK12MAPK11
SCHEMBL5817622 0.90 KCNH2 (0.62) KCNH2MAPK14MAPK13MAPK12MAPK11
SCHEMBL5819268 0.85 MAPK13 (0.55) KCNH2MAPK14MAPK13MAPK12MAPK11
SCHEMBL5820847 0.84 MAPK13 (0.54) KCNH2MAPK14MAPK13MAPK12MAPK11
SCHEMBL5823207 0.84 MAPK14 (0.56) KCNH2MAPK14MAPK13MAPK12MAPK11
SCHEMBL5819639 0.84 CKS1B (0.44) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL5819638 0.83 KCNH2 (0.53) KCNH2MAPK14MAPK13MAPK12MAPK11
SCHEMBL5818959 0.83 MAPK14 (0.51) KCNH2MAPK14MAPK13MAPK12MAPK11
SCHEMBL5815416 0.82 MAPK14 (0.71) KCNH2MAPK14MAPK13MAPK12MAPK11
SCHEMBL5815614 0.82 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11IDH1

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