SCHEMBL22136131

SCHEMBL22136131

CCc1nn(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCNC(=O)N(C)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 17/20 0.54
TBK1 Q9UHD2 1/20 0.49
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
EHMT2 Q96KQ7 2/20 0.46
EHMT1 Q9H9B1 1/20 0.46
ITK Q08881 1/20 0.45

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
SCHEMBL22136142 0.83 STING1 (0.58) STING1TBK1CYP3A4CYP2D6CYP2C9
SCHEMBL22135934 0.82 STING1 (0.53) STING1TBK1CYP3A4CYP2D6CYP2C9
SCHEMBL22136139 0.82 STING1 (0.53) STING1TBK1CYP3A4CYP2D6CYP2C9
SCHEMBL22135963 0.81 STING1 (0.65) STING1TBK1CYP3A4CYP2D6CYP2C9
SCHEMBL22135933 0.80 BACE1 (0.48) STING1TBK1EHMT2EHMT1
SCHEMBL22136125 0.78 STING1 (0.47) STING1TBK1CYP3A4CYP2D6CYP2C9
SCHEMBL22136247 0.74 STING1 (0.73) STING1
SCHEMBL22136265 0.73 STING1 (0.55) STING1TBK1CYP3A4CYP2D6CYP2C9
SCHEMBL22151356 0.72 STING1 (0.62) STING1TBK1
SCHEMBL22136274 0.71 STING1 (0.61) 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-2020132549-A1 STING HETEROCYCLE AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed