SCHEMBL22136142

SCHEMBL22136142

CCn1cccc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCNC(=O)N(C)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 17/20 0.58
TBK1 Q9UHD2 1/20 0.54
EHMT2 Q96KQ7 2/20 0.46
EHMT1 Q9H9B1 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ITK Q08881 1/20 0.46

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
SCHEMBL22136139 0.88 STING1 (0.53) STING1TBK1EHMT2EHMT1CYP3A4
SCHEMBL22136131 0.83 STING1 (0.54) STING1TBK1EHMT2EHMT1CYP3A4
SCHEMBL22135934 0.83 STING1 (0.53) STING1TBK1EHMT2EHMT1CYP3A4
SCHEMBL22135933 0.81 BACE1 (0.48) STING1TBK1EHMT2EHMT1
SCHEMBL22136125 0.79 STING1 (0.47) STING1TBK1EHMT2EHMT1CYP3A4
SCHEMBL22135047 0.77 STING1 (0.67) STING1TBK1
SCHEMBL22119610 0.75 STING1 (0.79) STING1TBK1
SCHEMBL22135181 0.75 STING1 (0.80) STING1
SCHEMBL29868127 0.74 STING1 (1.00) STING1TBK1
SCHEMBL29867985 0.73 STING1 (1.00) STING1TBK1

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