SCHEMBL3386697

SCHEMBL3386697

CCOC(=O)C(C(=O)OCC)c1nc(NCc2ccccn2)c2c(-c3ccc(F)cc3)csc2n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.48
NOD1 Q9Y239 2/20 0.48
MAPK1 P28482 1/20 0.48
KCNA5 P22460 5/20 0.43
PIP4K2C Q8TBX8 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOB P27338 1/20 0.41
KCNH2 Q12809 8/20 0.40
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
SCN9A Q15858 1/20 0.38
PTPN1 P18031 1/20 0.38
ESR1 P03372 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
SCHEMBL2368543 0.93 TNF (0.56) TNFNOD1MAPK1KCNA5PIP4K2C
SCHEMBL2369286 0.89 PRKCZ (0.37) TNFNOD1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL3386708 0.87 TNF (0.46) TNFNOD1MAPK1KCNA5PIP4K2C
SCHEMBL3384571 0.85 CLK4 (0.46) TNFNOD1MAPK1PIP4K2CSMN1; SMN2
SCHEMBL2368411 0.85 SMN1; SMN2 (0.42) KCNA5PIP4K2CSMN1; SMN2ALDH1A1POLB
SCHEMBL3385335 0.85 TNF (0.48) TNFNOD1MAPK1KCNA5PIP4K2C
SCHEMBL2369260 0.84 TNF (0.55) TNFNOD1MAPK1KCNA5PIP4K2C
SCHEMBL3415878 0.83 ESR1 (0.44) TNFNOD1MAPK1PIP4K2CSMN1; SMN2
SCHEMBL3386735 0.82 TNF (0.59) TNFNOD1MAPK1KCNA5PIP4K2C
SCHEMBL2368555 0.80 TNF (0.52) 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