SCHEMBL2369157

SCHEMBL2369157

Cc1ccc(-c2csc3nc[nH]c(=O)c23)nc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.69
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
PKM P14618 2/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CHEK1 O14757 1/20 0.54
SIRT5 Q9NXA8 1/20 0.54
KMT2A Q03164 1/20 0.51
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
PDPK1 O15530 1/20 0.42
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.40
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL2369146 0.82 GAA (1.00) GAARAB9ANPC1SMN1; SMN2PKM
SCHEMBL2369006 0.75 RAB9A (0.66) GAARAB9ANPC1SMN1; SMN2PKM
SCHEMBL2369558 0.73 GAA (0.73) GAARAB9ANPC1SMN1; SMN2PKM
SCHEMBL2369000 0.73 GAA (0.60) GAARAB9ANPC1SMN1; SMN2PKM
SCHEMBL2368706 0.73 RAB9A (0.97) GAARAB9ANPC1SMN1; SMN2PKM
SCHEMBL6641938 0.72 CCR1 (0.42) GAASMN1; SMN2ALDH1A1KMT2AHTT
SCHEMBL2368364 0.72 MAPT (0.55) GAASMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL2368692 0.70 RAB9A (0.76) GAARAB9ANPC1SMN1; SMN2PKM
SCHEMBL2368821 0.70 CHEK1 (1.00) GAARAB9ANPC1SMN1; SMN2PKM
SCHEMBL2368460 0.70 RAB9A (0.76) GAARAB9ANPC1SMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022076-B2 Thieno[2,3-d]pyrimidine derivatives as potassium channel modulators; antiarrhythmia agents XENTION LIMITED (GB) 2011-09-20 US disclosed
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