SCHEMBL4871028

SCHEMBL4871028

Cc1oc2ncnc(NCc3ccccn3)c2c1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 10/20 0.61
TNF P01375 1/20 0.53
MAPK1 P28482 1/20 0.53
NOD1 Q9Y239 1/20 0.53
KMT2A Q03164 3/20 0.49
CHEK1 O14757 2/20 0.49
MEN1 O00255 1/20 0.49
MAP2K1 Q02750 1/20 0.49
RAD52 P43351 1/20 0.47
KCNH2 Q12809 2/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
KCNA5 P22460 1/20 0.46
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 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
SCHEMBL4868763 0.82 KCNA5 (0.49) AURKAKMT2AMEN1KCNH2KCNA5
SCHEMBL5246200 0.80 KCNH2 (0.46) AURKAKCNH2KCNA5LMNATSHR
SCHEMBL17166886 0.80 POLB (0.50) AURKATNFMAPK1NOD1KMT2A
SCHEMBL3384562 0.77 TNF (0.61) AURKATNFMAPK1NOD1KMT2A
SCHEMBL16945843 0.76 L3MBTL1 (0.50) AURKAKMT2ALMNATSHRHTT
SCHEMBL15427127 0.76 POLB (0.67) KMT2AMEN1LMNAHTT
SCHEMBL4869478 0.76 TNF (0.61) AURKATNFMAPK1NOD1KMT2A
SCHEMBL4866797 0.74 KCNH2 (0.52) MAPK1KCNH2MAOAMAOBKCNA5
SCHEMBL4870568 0.73 KCNA5 (0.43) KCNH2KCNA5LMNATSHRHTT
SCHEMBL3382778 0.72 TNF (0.61) AURKATNFMAPK1NOD1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456187-B2 Furanopyrimidine compounds as potassium ion channel inhibitors XENTION LIMITED (GB) 2008-11-25 US claimed