SCHEMBL9260485

SCHEMBL9260485

Cn1cnc2c(c1=O)N=C[N]2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
GDA Q9Y2T3 2/20 0.34
PIK3CD O00329 1/20 0.34
POLB P06746 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CNR1 P21554 1/20 0.34
ACHE P22303 1/20 0.34
ADORA1 P30542 1/20 0.34
NTSR1 P30989 1/20 0.34
MC3R P41968 1/20 0.34
NOTUM Q6P988 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
NR2E1 Q9Y466 1/20 0.34
LMNA P02545 2/20 0.34
BCAT2 O15382 1/20 0.34
HPGD P15428 1/20 0.34
CYP3A4 P08684 2/20 0.33
BLM P54132 2/20 0.33
PMP22 Q01453 2/20 0.33

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
SCHEMBL355917 0.60 ALDH1A1 (0.40) ADORA2ALMNAHPGDBLMALDH1A1
SCHEMBL20203174 0.60 ADORA2A (0.48) ADORA2AADORA2BGDAPIK3CDPOLB
SCHEMBL18794726 0.60 LMNA (0.42) ADORA2AADORA2BGDAPIK3CDPOLB
SCHEMBL4435082 0.59 ADORA2A (0.35) ADORA2AADORA2BGDAPIK3CDPOLB
SCHEMBL14438644 0.58 ADORA2A (0.48) ADORA2AADORA2BGDAPIK3CDPOLB
SCHEMBL18794727 0.58 CYP3A4 (0.40) ADORA2AADORA2BGDAPIK3CDPOLB
SCHEMBL14088794 0.57 LMNA (0.40) ADORA2AADORA2BGDAPIK3CDPOLB
SCHEMBL15519349 0.57 ADORA2A (0.41) ADORA2AADORA2BGDAPIK3CDPOLB
SCHEMBL10328045 0.57 ADORA2A (0.37) ADORA2AADORA2BGDAPIK3CDPOLB
SCHEMBL23234870 0.56 CDK1 (0.38) ADORA2AADORA2BGDAPIK3CDPOLB

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
WO-1995031459-A1 MORPHOLINO-SUBUNIT COMBINATORIAL LIBRARY AND METHOD ANTIVIRALS INC. (US) 1995-11-23 WO disclosed