SCHEMBL11198545

SCHEMBL11198545

CNc1nc(N2CCN(C=O)CC2)nc2scc(C)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR3A P46098 2/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
CTNNB1 P35222 1/20 0.33
TCF7L2 Q9NQB0 1/20 0.33
LCK P06239 1/20 0.32
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NOD2 Q9HC29 1/20 0.31
KHK P50053 1/20 0.31
GGPS1 O95749 1/20 0.31
FLT3 P36888 1/20 0.31
CTDSP1 Q9GZU7 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
SCHEMBL11200451 0.87 LMNA (0.38) HRH4KDM4EALDH1A1MAPTMAPK1
SCHEMBL11200259 0.87 KDM4E (0.37) HRH4KDM4EALDH1A1MAPTMAPK1
SCHEMBL11205773 0.86 HRH4 (0.36) HRH4KDM4EALDH1A1MAPTMAPK1
SCHEMBL11217766 0.84 HCRTR1 (0.37) HRH4KDM4EALDH1A1MAPTMAPK1
SCHEMBL11204009 0.84 KDM4E (0.39) HRH4KDM4EALDH1A1MAPTMAPK1
SCHEMBL11197619 0.83 KDM4E (0.35) HRH4KDM4EALDH1A1MAPTMAPK1
SCHEMBL11200715 0.83 HRH4 (0.34) HRH4KDM4EALDH1A1MAPTMAPK1
SCHEMBL11197939 0.82 HCRTR1 (0.49) HRH4KDM4EALDH1A1MAPTMAPK1
SCHEMBL11200114 0.81 PRKCI (0.46) HRH4KDM4EALDH1A1KHKFLT3
SCHEMBL11207434 0.81 KDM4E (0.38) KDM4EALDH1A1MAPTMAPK1L3MBTL1

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