SCHEMBL5031489

SCHEMBL5031489

CCCCCCCc1nc2c(Cl)nc(N)nc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.44
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL27762061 0.85 GPR84 (0.44) GPR84PI4KAPI4K2BPI4K2API4KB
SCHEMBL3922879 0.78 PI4KA (0.40) PI4KAPI4K2BPI4K2API4KBALDH1A1
Trifluoroacetic Acid SCHEMBL2198958 0.78 PI4KA (0.40) GPR84PI4KAPI4K2BPI4K2API4KB
SCHEMBL10875892 0.75 PNP (0.47) GPR84PI4KAPI4K2BPI4K2API4KB
SCHEMBL9406871 0.73 PI4KA (0.48) GPR84PI4KAPI4K2BPI4K2API4KB
SCHEMBL12495463 0.72 TLR8 (0.47) ALDH1A1HPGDTLR8TLR7MAPT
SCHEMBL16487356 0.72 PI4KA (0.65) GPR84PI4KAPI4K2BPI4K2API4KB
SCHEMBL27741346 0.72 PI4KA (0.65) GPR84PI4KAPI4K2BPI4K2API4KB
SCHEMBL16984496 0.71 DHFR (0.39) PI4KAPI4K2BPI4K2API4KBTLR8
SCHEMBL27761904 0.71 PI4KA (0.52) GPR84PI4KAPI4K2BPI4K2API4KB

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-101438288-A Regulation of phosphoryl transferase activity of glutamine synthetase CSIR CORP (ZA) 2009-05-20 CN disclosed
EP-2008210-A1 MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE CSIR (ZA) 2008-12-31 EP disclosed
WO-2007105023-A1 MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE CSIR (ZA) 2007-09-20 WO disclosed