SCHEMBL2368417

SCHEMBL2368417

CCC(C)OC(=O)C(C(=O)O)c1nc(NCc2ccccn2)c2c(-c3ccc(F)cc3)c(C)sc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KCNA5 P22460 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PRKCI P41743 1/20 0.36
PIP4K2C Q8TBX8 1/20 0.35
MAOB P27338 1/20 0.35
SCN9A Q15858 1/20 0.35
KCNH2 Q12809 4/20 0.34
CXCR5 P32302 1/20 0.34
APLNR P35414 1/20 0.34
CCR6 P51684 1/20 0.34
HMGCR P04035 1/20 0.34
POLB P06746 1/20 0.33
SCD O00767 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33

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
SCHEMBL3415634 0.95 KDM4E (0.39) SMN1; SMN2KDM4EALDH1A1MAPTKCNA5
SCHEMBL3384949 0.90 BCL2 (0.33) SMN1; SMN2KDM4EALDH1A1MAPTMEN1
Butane SCHEMBL6359344 0.89 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EALDH1A1MAPTKCNA5
SCHEMBL2368411 0.88 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EALDH1A1MAPTKCNA5
SCHEMBL3387551 0.87 DYRK1A (0.40) SMN1; SMN2KDM4EALDH1A1MAPTMEN1
SCHEMBL3386708 0.86 TNF (0.46) SMN1; SMN2ALDH1A1KCNA5PIP4K2CMAOB
SCHEMBL3386501 0.86 PRKCI (0.36) SMN1; SMN2KDM4EALDH1A1MAPTPRKCI
SCHEMBL3415627 0.83 ALDH1A1 (0.44) SMN1; SMN2KDM4EALDH1A1MAPTKCNA5
SCHEMBL2368544 0.80 KCNA5 (0.44) SMN1; SMN2KCNA5MEN1KMT2APRKCI
SCHEMBL2368555 0.80 TNF (0.52) SMN1; SMN2ALDH1A1KCNA5PIP4K2CKCNH2

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
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
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