SCHEMBL29670401

SCHEMBL29670401

CC(C)(C)OC(=O)N1CCc2c(n3ncc(Cc4cccnc4)c3[nH]c2=O)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.40
F12 P00748 1/20 0.39
GPR119 Q8TDV5 4/20 0.38
KIT P10721 1/20 0.38
P2RX3 P56373 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
GRM5 P41594 1/20 0.37
GRM1 Q13255 1/20 0.37
PARP1 P09874 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
DTYMK P23919 1/20 0.36
GBA1 P04062 1/20 0.36
SPR P35270 1/20 0.36
PRKCI P41743 1/20 0.35
CCNK O75909 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
MAPK1 P28482 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
SCHEMBL24484074 1.00 NAMPT (0.40) NAMPTF12GPR119KITP2RX3
SCHEMBL24469807 0.91 P2RX3 (0.43) F12P2RX3PARP1TNKS2PARP2
SCHEMBL24469902 0.86 NAMPT (0.40) NAMPTF12GPR119KITP2RX3
SCHEMBL22717415 0.84 GPR119 (0.42) F12GPR119P2RX3PARP1TNKS2
SCHEMBL22845220 0.83 ABHD6 (0.39) F12GPR119P2RX3PARP1TNKS2
SCHEMBL29670347 0.81 F12 (0.40) F12GPR119DDB1CRBNPARP1
SCHEMBL24469870 0.76 PARP1 (0.37) PARP1SPR
SCHEMBL24469848 0.75 P2RX3 (0.42) F12P2RX3PARP1TNKS2PARP2
SCHEMBL24469985 0.75 PARP1 (0.38) GPR119PARP1SPR
SCHEMBL24914388 0.70 DDB1 (0.52) F12KITDDB1CRBNGRM5

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-2022115384-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2022-06-02 WO disclosed