SCHEMBL11205729

SCHEMBL11205729

CCc1csc2nc(N3CCN(C=O)CC3)nc(N(CCO)CCO)c12

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
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

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
SCHEMBL11200460 0.88 MAPK1 (0.35) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL11203490 0.86 ELANE (0.36) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL11205548 0.85 HTR2C (0.36)
SCHEMBL11203700 0.83 KDM4E (0.34) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL11200670 0.81 KDM4E (0.36) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL11207726 0.80 HPGD (0.31) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL11203278 0.80 KDM4E (0.30) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL11203658 0.79 KDM4E (0.37) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL11202902 0.79 HCRTR1 (0.38) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL11200167 0.78 P2RY12 (0.41) KDM4EALDH1A1MAPT

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