SCHEMBL21158089

SCHEMBL21158089

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC3COC3)c2n1C/C=C/CN

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.81
CYP3A4 P08684 1/20 0.58

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
SCHEMBL21158114 0.94 STING1 (0.82) STING1
SCHEMBL21157493 0.94 STING1 (0.81) STING1CYP3A4
SCHEMBL21157496 0.92 STING1 (0.77) STING1
SCHEMBL28651038 0.92 STING1 (0.77) STING1
SCHEMBL21158082 0.91 STING1 (0.77) STING1CYP3A4
SCHEMBL28628592 0.90 STING1 (0.67) STING1CYP3A4
SCHEMBL21156975 0.89 STING1 (0.74) STING1CYP3A4
SCHEMBL21158644 0.89 STING1 (1.00) STING1
SCHEMBL24728733 0.89 STING1 (0.73) STING1
SCHEMBL21158097 0.89 STING1 (0.73) STING1CYP3A4

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-2019134705-A1 IMMUNOMODULATOR 成都先导药物开发股份有限公司 2019-07-11 WO disclosed