SCHEMBL3385252

SCHEMBL3385252

COCCc1sc2nc(N)nc(NCc3ccccn3)c2c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNA5 P22460 7/20 0.41
TLR7 Q9NYK1 2/20 0.41
TNF P01375 1/20 0.40
MAPK1 P28482 1/20 0.40
NOD1 Q9Y239 1/20 0.40
ADORA2A P29274 3/20 0.40
ADORA1 P30542 2/20 0.40
JAK2 O60674 1/20 0.40
IGF1R P08069 1/20 0.40
PIM1 P11309 1/20 0.40
SRC P12931 1/20 0.40
CSNK2A2 P19784 1/20 0.40
JAK1 P23458 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
TYK2 P29597 1/20 0.40
FLT4 P35916 1/20 0.40

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
SCHEMBL3385287 0.83 PRKCI (0.51) KCNH2MEN1KMT2AKCNA5TLR7
SCHEMBL2368328 0.82 KCNA5 (0.44) KCNH2MEN1KMT2AKCNA5TLR7
SCHEMBL4867422 0.79 KCNH2 (0.43) KCNH2KCNA5TLR7ADORA2AADORA1
SCHEMBL2369220 0.74 MEN1 (0.52) KCNH2MEN1KMT2ATLR7ADORA2A
SCHEMBL3382742 0.72 TNF (0.70) KCNH2KCNA5TNFMAPK1NOD1
SCHEMBL3382594 0.71 KCNH2 (0.49) KCNH2MEN1KMT2AKCNA5TNF
SCHEMBL2368922 0.70 KCNH2 (0.48) KCNH2MEN1KMT2AKCNA5TNF
SCHEMBL12188788 0.68 KCNH2 (0.78) KCNH2KCNA5JAK2IGF1RPIM1
SCHEMBL2368981 0.67 TNF (0.61) KCNH2KCNA5TNFMAPK1NOD1
SCHEMBL2368976 0.67 KCNH2 (0.48) KCNH2MEN1KMT2AKCNA5TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641803-B3 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2010-12-08 EP disclosed
EP-1641803-B1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2009-03-18 EP disclosed
EP-1641803-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS Xention Discovery Limited (GB) 2006-04-05 EP disclosed
WO-2004111057-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION DISCOVERY LIMITED (GB) 2004-12-23 WO disclosed