SCHEMBL3385335

SCHEMBL3385335

CCOC(=O)Cc1nc(NCc2ccccn2)c2c(-c3ccc(F)cc3)csc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.48
NOD1 Q9Y239 2/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 6/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KCNA5 P22460 3/20 0.43
PIP4K2C Q8TBX8 1/20 0.43
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 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
SCHEMBL2368361 0.93 TNF (0.56) TNFNOD1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL2369471 0.89 ALDH1A1 (0.47) TNFNOD1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL2368394 0.87 TNF (0.51) TNFNOD1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL5818525 0.85 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL2368514 0.85 CLK4 (0.44) TNFNOD1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL2369234 0.85 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL3386697 0.85 TNF (0.48) TNFNOD1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL2368683 0.83 TNF (0.56) TNFNOD1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL3386735 0.82 TNF (0.59) TNFNOD1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL2368488 0.80 TNF (0.59) TNFNOD1MAPK1SMN1; SMN2ALDH1A1

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