SCHEMBL3385141

SCHEMBL3385141

COC(=O)C1CCN(c2nc(NCc3ccccn3)c3c(-c4ccc(F)cc4)csc3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.45
NOD1 Q9Y239 2/20 0.45
MAPK1 P28482 1/20 0.45
KCNA5 P22460 1/20 0.40
PIP4K2C Q8TBX8 1/20 0.40
PDE5A O76074 1/20 0.40
CSNK1E P49674 1/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
CDK7 P50613 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
ADRB3 P13945 3/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL6360281 0.92 TNF (0.49) TNFNOD1MAPK1KCNA5PIP4K2C
SCHEMBL3387496 0.83 CSNK1D (0.51) TNFNOD1MAPK1KCNA5PIP4K2C
SCHEMBL2369183 0.80 TNF (0.56) TNFNOD1MAPK1KCNA5PIP4K2C
SCHEMBL12817292 0.78 TNF (0.52) TNFNOD1MAPK1KCNA5PIP4K2C
SCHEMBL15893245 0.78 TNF (0.52) TNFNOD1MAPK1KCNA5PIP4K2C
SCHEMBL12817304 0.78 TNF (0.52) TNFNOD1MAPK1KCNA5PIP4K2C
SCHEMBL12818588 0.78 TNF (0.52) TNFNOD1MAPK1KCNA5PIP4K2C
SCHEMBL3387615 0.78 TNF (0.59) TNFNOD1MAPK1KCNA5PIP4K2C
SCHEMBL3386735 0.76 TNF (0.59) TNFNOD1MAPK1KCNA5PIP4K2C
SCHEMBL2368519 0.76 TNF (0.59) TNFNOD1MAPK1KCNA5PIP4K2C

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