SCHEMBL1015248

SCHEMBL1015248

Nc1ccc2cn(Cc3cccc(F)c3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NSD2 O96028 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL1017997 0.89 L3MBTL1 (0.58) L3MBTL1ADORA3ADORA2AADORA2BADORA1
SCHEMBL725034 0.84 KDM4E (0.50) ADORA3ADORA2AADORA1MAPTALDH1A1
SCHEMBL25401921 0.80 KDM4C (0.50) L3MBTL1ADORA3ADORA2AADORA2BADORA1
SCHEMBL30585054 0.80 KDM4C (0.50) L3MBTL1ADORA3ADORA2AADORA2BADORA1
SCHEMBL30584957 0.77 HDAC6 (0.52) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL25403016 0.76 MRGPRX4 (0.46) L3MBTL1ADORA3ADORA2AADORA2BADORA1
SCHEMBL14313072 0.75 ADORA3 (0.43) L3MBTL1ADORA3ADORA2AADORA2BADORA1
SCHEMBL24015544 0.73 L3MBTL1 (0.58) L3MBTL1ADORA3ADORA2AADORA2BADORA1
SCHEMBL17458934 0.73 L3MBTL1 (0.58) L3MBTL1ADORA3ADORA2AADORA2BADORA1
SCHEMBL3616273 0.73 MAPT (0.65) L3MBTL1ADORA2AADORA2BADORA1MAPT

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-2001890-B1 TETRAHYDROPYRIDOTHIENOPYRIMIDINE COMPOUNDS AND USE FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS BAYER SCHERING PHARMA AG (DE) 2011-01-12 EP disclosed