SCHEMBL28628592

SCHEMBL28628592

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC3CCO3)c2n1C/C=C/CN

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.67
CYP3A4 P08684 1/20 0.60

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
SCHEMBL28628590 0.92 STING1 (0.65) STING1CYP3A4
SCHEMBL21158114 0.90 STING1 (0.82) STING1
SCHEMBL21158089 0.90 STING1 (0.81) STING1CYP3A4
SCHEMBL19436569 0.88 STING1 (0.84) STING1CYP3A4
SCHEMBL19436571 0.88 STING1 (0.84) STING1CYP3A4
SCHEMBL21157499 0.88 STING1 (0.81) STING1CYP3A4
Hydrochloric Acid SCHEMBL21616403 0.87 STING1 (0.83) STING1CYP3A4
Hydrochloric Acid SCHEMBL29686248 0.87 STING1 (0.83) STING1CYP3A4
Niacin SCHEMBL28924685 0.86 STING1 (0.55) STING1CYP3A4
SCHEMBL23077572 0.85 STING1 (0.84) 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
CN-110016025-B Immunomodulator 成都先导药物开发股份有限公司 2021-08-06 CN disclosed