SCHEMBL3383435

SCHEMBL3383435

CCc1nc(NCc2ccccn2)c2c(-c3ccccc3)csc2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.67
NOD1 Q9Y239 2/20 0.67
MAPK1 P28482 2/20 0.67
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 3/20 0.53
PIP4K2C Q8TBX8 1/20 0.52
ESR1 P03372 3/20 0.52
KCNH2 Q12809 6/20 0.52
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KCNA5 P22460 8/20 0.49
JAK2 O60674 2/20 0.49
CDK2 P24941 2/20 0.49
TYK2 P29597 2/20 0.49
GSK3B P49841 2/20 0.49
JAK3 P52333 2/20 0.49
BTK Q06187 2/20 0.49
AURKB Q96GD4 2/20 0.49

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
SCHEMBL2369499 0.90 TNF (0.66) TNFNOD1MAPK1SMN1; SMN2LMNA
SCHEMBL2368912 0.89 TNF (0.67) TNFNOD1MAPK1SMN1; SMN2LMNA
SCHEMBL2369262 0.89 TNF (0.64) TNFNOD1MAPK1SMN1; SMN2LMNA
SCHEMBL2368060 0.88 TNF (0.66) TNFNOD1MAPK1SMN1; SMN2LMNA
SCHEMBL2368545 0.87 TNF (0.70) TNFNOD1MAPK1SMN1; SMN2LMNA
SCHEMBL2368488 0.85 TNF (0.59) TNFNOD1MAPK1SMN1; SMN2LMNA
SCHEMBL2368584 0.85 TNF (0.67) TNFNOD1MAPK1SMN1; SMN2PIP4K2C
SCHEMBL2368361 0.85 TNF (0.56) TNFNOD1MAPK1SMN1; SMN2LMNA
SCHEMBL3382742 0.84 TNF (0.70) TNFNOD1MAPK1SMN1; SMN2PIP4K2C
SCHEMBL2368495 0.84 ESR1 (0.73) TNFNOD1MAPK1SMN1; SMN2LMNA

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 5 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
CN-1823071-A Thienopyrimidine derivatives as potassium channel inhibitors XENTION DISCOVERY LTD (GB) 2006-08-23 CN 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