SCHEMBL11200259

SCHEMBL11200259

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR3A P46098 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
GGPS1 O95749 1/20 0.34
EHMT2 Q96KQ7 1/20 0.33
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CTNNB1 P35222 1/20 0.32
TCF7L2 Q9NQB0 1/20 0.32

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
SCHEMBL11198545 0.87 HRH4 (0.42) KDM4EMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL11200451 0.84 LMNA (0.38) KDM4EMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL11205725 0.82 PRKCI (0.46) KDM4EALDH1A1
SCHEMBL11217766 0.81 HCRTR1 (0.37) KDM4EMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL11204009 0.81 KDM4E (0.39) KDM4EMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL11197619 0.81 KDM4E (0.35) KDM4EMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL11197939 0.80 HCRTR1 (0.49) KDM4EMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL11202884 0.79 HCRTR1 (0.47) KDM4EMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL11207434 0.78 KDM4E (0.38) KDM4EMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL11201461 0.78 KDM4E (0.39) KDM4EMAPTALDH1A1MAPK1L3MBTL1

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