SCHEMBL5819690

SCHEMBL5819690

COc1ccc(-c2nc(N3CCCCC3)sc2-c2ccnc(N[C@@H](C)c3ccccc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 1/20 0.47
MAPK14 Q16539 8/20 0.46
MAPK13 O15264 7/20 0.46
MAPK12 P53778 6/20 0.46
MAPK11 Q15759 6/20 0.46
KCNH2 Q12809 1/20 0.46
IDH1 O75874 4/20 0.43
MAPK8 P45983 2/20 0.42
MAPK9 P45984 2/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
LCK P06239 1/20 0.42
LYN P07948 1/20 0.42
MAPK1 P28482 1/20 0.42
AKT2 P31751 1/20 0.42
FLT4 P35916 1/20 0.42
FLT3 P36888 1/20 0.42

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
SCHEMBL5820567 0.92 KCNH2 (0.50) KMT2AMAPK14MAPK13MAPK12MAPK11
SCHEMBL5814407 0.90 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5819639 0.85 CKS1B (0.44) ALDH1A1HTTNPSR1KMT2AMAPK14
SCHEMBL5814841 0.84 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5813695 0.84 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5823067 0.84 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5813688 0.84 MAPK14 (0.53) ALDH1A1KMT2AMAPK14MAPK13MAPK12
SCHEMBL5819797 0.82 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5817622 0.81 KCNH2 (0.62) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5818972 0.81 EGFR (0.64) KCNH2MAPK8MAPK9EGFRRAF1

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