SCHEMBL5246745

SCHEMBL5246745

Cc1ccc(Sc2ncnc(Sc3ccc(C)cc3)c2N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.58
MAPT P10636 5/20 0.54
GFER P55789 1/20 0.54
ICAM1 P05362 1/20 0.48
SELE P16581 1/20 0.48
VCAM1 P19320 1/20 0.48
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 1/20 0.41
HTT P42858 3/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL5247221 0.80 NR1H2 (0.50) LMNAMAPTGFERALDH1A1SMN1; SMN2
SCHEMBL5246815 0.80 LMNA (0.58) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL5247718 0.79 CDC7 (0.57) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL5244234 0.79 LMNA (0.56) LMNAMAPTADORA2AADORA1ALDH1A1
SCHEMBL6213388 0.73 MAPT (0.61) LMNAMAPTGFERICAM1SELE
SCHEMBL28946236 0.71 LMNA (0.41) LMNAMAPTGFERICAM1SELE
SCHEMBL7059737 0.71 MAPT (0.46) LMNAMAPTGFERICAM1SELE
SCHEMBL3063111 0.71 LMNA (0.59) LMNAMAPTGFERALDH1A1SMN1; SMN2
SCHEMBL12245875 0.69 ACHE (0.57) LMNAMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL83853 0.69 ACHE (0.57) LMNAMAPTALDH1A1SMN1; SMN2NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101257948-A Pyrimidine-fused diazepine derivatives and indole-fused pteridines ATTENUON LLC (US) 2008-09-03 CN disclosed
EP-1848506-A2 PYRIMIDINE-FUSED DIAZEPINE DERIVATIVES AND INDOLE-FUSED PTERIDINES Attenuon, LLC (US) 2007-10-31 EP disclosed
WO-2006089298-A2 PYRIMIDINE-FUSED DIAZEPINE DERIVATIVES AND INDOLE-FUSED PTERIDINES ATTENUON, LLC (US) 2006-08-24 WO disclosed