SCHEMBL8742183

SCHEMBL8742183

COc1ccc(-c2ncc3cn[nH]c3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MAPT P10636 3/20 0.47
CLK4 Q9HAZ1 2/20 0.47
NPC1 O15118 5/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 3/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
ADORA2A P29274 1/20 0.44
SCN4A P35499 1/20 0.44
PDPK1 O15530 1/20 0.43
TNIK Q9UKE5 1/20 0.42
XDH P47989 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL6055038 0.78 DYRK1A (0.42) KMT2AMAPTCLK4NPC1ADORA3
SCHEMBL3762000 0.78 HPGDS (0.47) KMT2AMAPTCLK4NPC1ADORA3
SCHEMBL9982819 0.76 CLK1 (0.46) MAPTNPC1PDPK1MAPK1KDM4E
SCHEMBL9982987 0.73 TDP1 (0.49) MAOB
SCHEMBL16404354 0.72 CYP1A2 (0.62) KMT2AMAPTCLK4NPC1MAOA
SCHEMBL14983667 0.71 CLK4 (0.52) KMT2AMAPTCLK4NPC1MAOA
SCHEMBL28849727 0.71 CLK4 (0.61) KMT2AMAPTCLK4NPC1ADORA3
SCHEMBL30941674 0.71 KDM4E (0.50) KMT2AMAPTCLK4NPC1ADORA3
SCHEMBL10506164 0.71 MAPK1 (0.49) KMT2AMAPTCLK4NPC1ADORA3
SCHEMBL338452 0.70 CLK4 (0.64) KMT2AMAPTCLK4NPC1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0682519-A4 ADENOSINE KINASE INHIBITORS. GENSIA INC (US) 1997-12-17 EP disclosed
EP-0682519-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1995-11-22 EP disclosed
WO-1994017803-A9 ADENOSINE KINASE INHIBITORS 1994-09-29 WO disclosed
WO-1994017803-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1994-08-18 WO disclosed