SCHEMBL11201110

SCHEMBL11201110

CCc1sc2nc(N3CCN(C=O)CC3)nc(NC)c2c1C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.36
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR3A P46098 1/20 0.33
CTNNB1 P35222 1/20 0.31
TCF7L2 Q9NQB0 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL11209421 0.88 BCL2 (0.34) HRH4KDM4EALDH1A1MAPTMAPK1
SCHEMBL11200185 0.87 ALDH1A1 (0.39) HRH4KDM4EALDH1A1MAPTMAPK1
SCHEMBL11205447 0.85 HRH4 (0.38) HRH4KDM4EALDH1A1MAPTMAPK1
SCHEMBL11206681 0.85 KDM4E (0.34) HRH4KDM4EALDH1A1MAPTMAPK1
SCHEMBL11199749 0.84 HRH4 (0.36) HRH4KDM4EALDH1A1MAPTMAPK1
SCHEMBL11201723 0.83 KHK (0.39) HRH4KDM4EALDH1A1
SCHEMBL11200278 0.81 HRH4 (0.36) HRH4KDM4EALDH1A1MAPTMAPK1
SCHEMBL11205773 0.79 HRH4 (0.36) HRH4KDM4EALDH1A1MAPTMAPK1
SCHEMBL11203278 0.78 KDM4E (0.30) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL11201322 0.77 MEN1 (0.43) KDM4EALDH1A1MAPTMAPK1MEN1

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