SCHEMBL809770

SCHEMBL809770

N#CN=C(NCCCCCCc1cccnc1)Nc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.49
PTAFR P25105 10/20 0.47
IKBKB O14920 1/20 0.44
FLT4 P35916 2/20 0.43
FES P07332 1/20 0.43
RET P07949 1/20 0.43
MARK3 P27448 1/20 0.43
TYK2 P29597 1/20 0.43
SYK P43405 1/20 0.43
CLK2 P49760 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
HRH1 P35367 2/20 0.42
TBXAS1 P24557 4/20 0.41
CDK2 P24941 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
SCHEMBL810402 0.89 IKBKB (0.46) HRH4PTAFRIKBKB
SCHEMBL3825375 0.83 IKBKB (0.58) PTAFRIKBKBFLT4CDK2
SCHEMBL9147482 0.82 BCL6 (0.53) HRH4PTAFRFLT4CDK2
SCHEMBL809903 0.81 NAMPT (0.46) HRH4IKBKB
SCHEMBL20095479 0.80 IKBKB (0.50) IKBKB
SCHEMBL9147488 0.80 NPC1 (0.47) HRH4PTAFRFLT4CDK2
SCHEMBL11166906 0.78 CDK2 (0.52) FLT4CDK2
SCHEMBL504319 0.78 HRH4 (0.59) HRH4PTAFRFLT4FESRET
SCHEMBL9149002 0.77 BCL6 (0.62) HRH4
SCHEMBL7098728 0.77 CYP1A2 (0.53) IKBKB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397355-B1 PYRIDYL CYANOGUANIDINE COMPOUNDS LEO PHARMA AS (DK) 2009-09-09 EP claimed
EP-2394649-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDYL CYANOGUANIDINES, PREPARATION METHODS AND USES THEREOF Tianjin Hemay Bio-Tech Co., Ltd. (CN) 2011-12-14 EP disclosed
EP-1397355-B1 PYRIDYL CYANOGUANIDINE COMPOUNDS LEO PHARMA AS (DK) 2009-09-09 EP disclosed