SCHEMBL21158091

SCHEMBL21158091

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

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.81
CYP3A4 P08684 1/20 0.68

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
SCHEMBL29403883 0.89 STING1 (1.00) STING1CYP3A4
SCHEMBL28941700 0.89 STING1 (1.00) STING1CYP3A4
SCHEMBL20889092 0.89 STING1 (1.00) STING1CYP3A4
SCHEMBL21157493 0.89 STING1 (0.81) STING1CYP3A4
SCHEMBL21158089 0.89 STING1 (0.81) STING1CYP3A4
SCHEMBL21685655 0.87 STING1 (0.85) STING1CYP3A4
SCHEMBL28924678 0.87 STING1 (0.79) STING1CYP3A4
SCHEMBL28924683 0.87 STING1 (0.79) STING1CYP3A4
SCHEMBL21158087 0.86 STING1 (0.84) STING1CYP3A4
SCHEMBL23077592 0.86 STING1 (0.86) 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