SCHEMBL22136264

SCHEMBL22136264

Cc1nc(C)c(C(=O)Nc2nc3cc(C(N)=O)ccc3n2CCCCn2cnc3ccccc32)o1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 15/20 0.60
TBK1 Q9UHD2 1/20 0.53
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAP3K7 O43318 1/20 0.48
EHMT2 Q96KQ7 2/20 0.47
EHMT1 Q9H9B1 1/20 0.47
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
SCHEMBL22136291 0.91 STING1 (0.55) STING1TBK1CYP3A4CYP2D6CYP2C9
SCHEMBL22151647 0.86 STING1 (0.62) STING1TBK1CYP3A4CYP2D6CYP2C9
SCHEMBL22136287 0.83 STING1 (0.65) STING1TBK1CYP3A4CYP2D6CYP2C9
SCHEMBL22136253 0.82 STING1 (0.50) STING1TBK1CYP3A4CYP2D6CYP2C9
SCHEMBL22135276 0.82 STING1 (0.81) STING1TBK1
SCHEMBL22136153 0.80 STING1 (0.57) STING1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22136258 0.80 STING1 (0.46) STING1TBK1CYP3A4CYP2D6CYP2C9
SCHEMBL22135934 0.78 STING1 (0.53) STING1TBK1CYP3A4CYP2D6CYP2C9
SCHEMBL22136293 0.77 CXCR4 (0.53) STING1KMT2A
SCHEMBL22135909 0.76 STING1 (0.61) STING1TBK1CYP3A4CYP2D6CYP2C9

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