SCHEMBL16812976

SCHEMBL16812976

Cc1ccc(C2=NCC(=O)Nc3c2[nH]c2ccc(Cl)cc32)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.40
CDK5 Q00535 3/20 0.40
CDK5R1 Q15078 3/20 0.40
GSK3A P49840 2/20 0.40
CCNB2 O95067 2/20 0.40
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
CCNB3 Q8WWL7 2/20 0.40
CSF1R P07333 7/20 0.38
CNR1 P21554 2/20 0.38
NTSR1 P30989 1/20 0.38
OPRK1 P41145 1/20 0.38
PDE4D Q08499 1/20 0.38
KIT P10721 1/20 0.38
FLT3 P36888 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGS2 P35354 2/20 0.37

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
SCHEMBL16812975 0.84 GSK3B (0.45) GSK3BCDK5CDK5R1GSK3ACCNB2
SCHEMBL16813036 0.82 CNR1 (0.56) GSK3BCDK5CDK5R1GSK3ACCNB2
SCHEMBL16796669 0.78 CNR1 (0.43) GSK3BCDK5CDK5R1GSK3ACCNB2
SCHEMBL16813014 0.78 CHRM4 (0.51) GSK3BCNR1NTSR1OPRK1PDE4D
SCHEMBL16796592 0.77 PTGS2 (0.49) GSK3BCDK5CDK5R1GSK3ACCNB2
SCHEMBL16812984 0.76 CNR1 (0.47) CCNB2CDK1CCNB1CCNB3CNR1
SCHEMBL16813015 0.74 LMNA (0.60) GSK3BCDK5CDK5R1GSK3ACCNB2
SCHEMBL16813041 0.73 HPGD (0.47) GSK3BCDK5CDK5R1GSK3ACCNB2
SCHEMBL16812983 0.73 CNR1 (0.47) GSK3BGSK3ACNR1NTSR1OPRK1
SCHEMBL16813038 0.73 CNR1 (0.56) CNR1NTSR1OPRK1PDE4DLMNA

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-2015088565-A1 P2X4 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2015-06-18 WO disclosed