SCHEMBL11201461

SCHEMBL11201461

Cc1csc2nc(N3CCN(C=O)CC3)nc(N(C)C)c12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
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
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
HTR3A P46098 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
ELANE P08246 1/20 0.32
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
PRKCI P41743 1/20 0.30
HTR2C P28335 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
SCHEMBL11220134 0.87 ELANE (0.42) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL11200670 0.85 KDM4E (0.36) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL11200460 0.84 MAPK1 (0.35) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL11197939 0.82 HCRTR1 (0.49) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL11206414 0.81 PDE4A (0.48) KDM4EALDH1A1HTR3APDE4APDE4B
SCHEMBL11198545 0.81 HRH4 (0.42) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL11202884 0.80 HCRTR1 (0.47) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL11200451 0.78 LMNA (0.38) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL11200259 0.78 KDM4E (0.37) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL11208073 0.75 MAPT (0.33) 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