SCHEMBL28447140

SCHEMBL28447140

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

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 19/20 0.74
CYP3A4 P08684 1/20 0.64
ENPP1 P22413 1/20 0.59

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
SCHEMBL24348243 0.93 STING1 (0.74) STING1CYP3A4ENPP1
SCHEMBL29080465 0.93 STING1 (0.74) STING1CYP3A4ENPP1
SCHEMBL19436571 0.93 STING1 (0.84) STING1CYP3A4ENPP1
SCHEMBL29791203 0.93 STING1 (0.74) STING1CYP3A4ENPP1
SCHEMBL19436569 0.93 STING1 (0.84) STING1CYP3A4ENPP1
Hydrochloric Acid SCHEMBL29686248 0.93 STING1 (0.83) STING1CYP3A4ENPP1
Hydrochloric Acid SCHEMBL21616403 0.93 STING1 (0.83) STING1CYP3A4ENPP1
SCHEMBL29791167 0.92 STING1 (0.70) STING1CYP3A4ENPP1
SCHEMBL19451788 0.90 STING1 (0.87) STING1CYP3A4ENPP1
SCHEMBL30615790 0.89 STING1 (0.66) STING1CYP3A4ENPP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113563313-B Immunomodulator 成都先导药物开发股份有限公司 2022-11-04 CN disclosed
CN-113563313-A Immunomodulator 成都先导药物开发股份有限公司 2021-10-29 CN disclosed
CN-111499617-B Immunomodulator 成都先导药物开发股份有限公司 2021-08-06 CN disclosed
CN-111499617-A Immunomodulator 成都先导药物开发股份有限公司 2020-08-07 CN disclosed