SCHEMBL3385355

SCHEMBL3385355

CCc1nc(C(N)c2ccco2)c2c(-c3ccccc3)csc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTT P42858 1/20 0.41
LMNA P02545 5/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 1/20 0.39
DAPK3 O43293 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39
LCK P06239 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
MET P08581 1/20 0.39
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39

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
SCHEMBL3382540 0.85 ESR1 (0.47) ALDH1A1ALOX15MAPK1HSD17B10HTT
SCHEMBL3383431 0.81 ALDH1A1 (0.44) ALDH1A1ALOX15MAPK1HSD17B10HTT
SCHEMBL3386719 0.79 BTK (0.39) ALDH1A1ALOX15MAPK1HSD17B10HTT
SCHEMBL5790688 0.78 ADORA1 (0.50) ALDH1A1ALOX15MAPK1HSD17B10HTT
SCHEMBL2368665 0.76 LMNA (0.50) ALDH1A1ALOX15MAPK1HSD17B10HTT
SCHEMBL3385359 0.74 LMNA (0.52) ALDH1A1MAPK1HSD17B10HTTLMNA
SCHEMBL2369123 0.73 ALDH1A1 (0.55) ALDH1A1ALOX15MAPK1HSD17B10HTT
SCHEMBL3384729 0.70 HTT (0.41) ALDH1A1ALOX15HSD17B10HTTLMNA
SCHEMBL2368911 0.70 LMNA (0.45) ALDH1A1ALOX15MAPK1HSD17B10HTT
SCHEMBL2369259 0.70 LMNA (0.41) ALDH1A1ALOX15MAPK1HSD17B10HTT

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