SCHEMBL19686686

SCHEMBL19686686

CNNc1nc(NC2CCC(F)(F)CC2)cc(NC2CCCNC2=O)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 9/20 0.37
MKNK1 Q9BUB5 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
FPR2 P25090 1/20 0.33
SCN9A Q15858 1/20 0.33
NUDT1 P36639 1/20 0.32
IDH2 P48735 3/20 0.32
HRH4 Q9H3N8 1/20 0.32
CCR2 P41597 1/20 0.32
PTK2 Q05397 1/20 0.32
PTK2B Q14289 1/20 0.32
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
GPR39 O43194 1/20 0.31
SYK P43405 1/20 0.31

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
SCHEMBL19686669 0.80 IL1B (0.38) IDH1NUDT1IDH2HRH4
SCHEMBL21144067 0.79 KCNN2 (0.52) IDH1MKNK1MKNK2ADORA2AADORA1
SCHEMBL19687218 0.78 IDH1 (0.38) IDH1IDH2
SCHEMBL19686523 0.75 IDH1 (0.44) IDH1IDH2
SCHEMBL19687150 0.72 IDH1 (0.39) IDH1IDH2
SCHEMBL19687174 0.72 IDH1 (0.39) IDH1IDH2
SCHEMBL19687151 0.70 IDH1 (0.38) IDH1IDH2
SCHEMBL19687152 0.70 IDH1 (0.38) IDH1IDH2
SCHEMBL19687411 0.69 IDH1 (0.39) IDH1IDH2ADORA2AADORA1
SCHEMBL19687470 0.69 IDH1 (0.39) IDH1IDH2GPR39

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-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 WO disclosed