SCHEMBL22150282

SCHEMBL22150282

Cc1nc(C)c(C(=O)Nc2nc3cc(C(N)=O)ccc3n2C/C=C/Cn2c(NC(=O)c3oc(C)nc3C)nc3cc(C(N)=O)cc(CN4CCOCC4)c32)o1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 17/20 0.46
ITK Q08881 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL22150535 0.96 STING1 (0.44) STING1ITKKDM4ENPSR1
SCHEMBL22150391 0.93 STING1 (0.42) STING1ITKKDM4ENPSR1
SCHEMBL22121460 0.92 STING1 (0.56) STING1
SCHEMBL22121457 0.92 STING1 (0.56) STING1
SCHEMBL22121504 0.92 STING1 (0.59) STING1
SCHEMBL22121503 0.92 STING1 (0.59) STING1
SCHEMBL22150538 0.91 STING1 (0.48) STING1
SCHEMBL22121332 0.89 STING1 (0.40) STING1
SCHEMBL22150532 0.89 STING1 (0.40) STING1ITKKDM4ENPSR1
SCHEMBL22150506 0.88 STING1 (0.53) STING1

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-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed