SCHEMBL11201413

SCHEMBL11201413

CCCc1csc2nc(N3CCN(C=O)CC3)nc(N)c12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH4 Q9H3N8 2/20 0.34
IKBKB O14920 6/20 0.34
HTT P42858 2/20 0.33
DHFR P00374 2/20 0.32
HTR3A P46098 1/20 0.32
CHUK O15111 3/20 0.31
EPHA3 P29320 3/20 0.31
PDGFRA P16234 1/20 0.31
NTRK1 P04629 1/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL11202902 0.92 HCRTR1 (0.38) HCRTR1HCRTR2KDM4EALDH1A1MAPK1
SCHEMBL11200715 0.84 HRH4 (0.34) KDM4EALDH1A1MAPK1MAPTL3MBTL1
SCHEMBL11200986 0.82 IKBKB (0.43) KDM4EALDH1A1MAPTHRH4IKBKB
SCHEMBL11197939 0.82 HCRTR1 (0.49) HCRTR1HCRTR2KDM4EALDH1A1MAPK1
SCHEMBL11202884 0.79 HCRTR1 (0.47) HCRTR1HCRTR2KDM4EALDH1A1MAPK1
SCHEMBL11201993 0.79 HCRTR1 (0.37) HCRTR1HCRTR2KDM4EALDH1A1MAPK1
SCHEMBL11201197 0.77 LMNA (0.38) KDM4EALDH1A1MAPK1MAPTL3MBTL1
SCHEMBL11205773 0.76 HRH4 (0.36) KDM4EALDH1A1MAPK1MAPTL3MBTL1
SCHEMBL11203700 0.76 KDM4E (0.34) KDM4EALDH1A1MAPK1MAPTL3MBTL1
SCHEMBL11202798 0.75 HTR6 (0.37) HCRTR1HCRTR2KDM4EALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0082023-A2 Thienopyrimidine derivatives, their preparation and their medical use SANKYO COMPANY LIMITED (JP) 1983-06-22 EP disclosed