SCHEMBL22136291

SCHEMBL22136291

CCc1nc(C)oc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCn1cnc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 17/20 0.55
TBK1 Q9UHD2 1/20 0.53
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAP3K7 O43318 1/20 0.48
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44

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
SCHEMBL22136264 0.91 STING1 (0.60) STING1TBK1CYP3A4CYP2D6CYP2C9
SCHEMBL22136258 0.85 STING1 (0.46) STING1TBK1CYP3A4CYP2D6CYP2C9
SCHEMBL22135915 0.85 STING1 (0.62) STING1TBK1MAP3K7KDM4EMEN1
SCHEMBL22121082 0.83 STING1 (0.54) STING1TBK1MAP3K7KMT2A
SCHEMBL22135276 0.81 STING1 (0.81) STING1TBK1
SCHEMBL22136265 0.81 STING1 (0.55) STING1TBK1CYP3A4CYP2D6CYP2C9
SCHEMBL22149977 0.80 STING1 (0.51) STING1TBK1CYP3A4CYP2D6CYP2C9
SCHEMBL22121665 0.80 STING1 (0.51) STING1TBK1CYP3A4CYP2D6CYP2C9
SCHEMBL22136253 0.80 STING1 (0.50) STING1TBK1CYP3A4CYP2D6CYP2C9
SCHEMBL29684510 0.79 STING1 (0.49) STING1TBK1MAP3K7KMT2A

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-2020132549-A1 STING HETEROCYCLE AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed