SCHEMBL22136265

SCHEMBL22136265

CCc1nc(C)oc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCNC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.55
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TBK1 Q9UHD2 1/20 0.49
IRF3 Q14653 1/20 0.48

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
SCHEMBL22136153 0.92 STING1 (0.57) STING1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22135915 0.83 STING1 (0.62) STING1TBK1
SCHEMBL22135935 0.83 STING1 (0.51) STING1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22119610 0.83 STING1 (0.79) STING1TBK1IRF3
SCHEMBL22136291 0.81 STING1 (0.55) STING1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22121082 0.81 STING1 (0.54) STING1TBK1
SCHEMBL22119105 0.80 STING1 (0.53) STING1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22135934 0.79 STING1 (0.53) STING1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL25605648 0.79 STING1 (0.66) STING1
SCHEMBL22149977 0.79 STING1 (0.51) STING1CYP3A4CYP2D6CYP2C9CYP2C19

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