SCHEMBL5819508

SCHEMBL5819508

CN1CCC(O)(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CC4)n3)s2)CC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.47
IKBKB O14920 1/20 0.46
EGFR P00533 2/20 0.46
MAPK14 Q16539 2/20 0.46
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44

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
SCHEMBL5818943 0.96 KCNH2 (0.46) KCNH2IKBKBEGFRMAPK14
SCHEMBL5818443 0.96 KCNH2 (0.45) KCNH2IKBKBEGFRMAPK14
SCHEMBL5819235 0.90 BRAF (0.51) KCNH2IKBKB
SCHEMBL5818981 0.90 IKBKB (0.45) KCNH2IKBKB
SCHEMBL5823170 0.89 CSNK1D (0.46) KCNH2MAPK14MAPK13MAPK12MAPK11
SCHEMBL5814867 0.87 KCNH2 (0.51) KCNH2
SCHEMBL5818779 0.87 MAPK9 (0.48) KCNH2IKBKBMAPK14
SCHEMBL5819371 0.86 IKBKB (0.43) IKBKB
SCHEMBL5819362 0.86 IKBKB (0.41) KCNH2IKBKB
SCHEMBL5819379 0.86 MAPK9 (0.48) KCNH2IKBKB

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