SCHEMBL22121522

SCHEMBL22121522

COc1cc(C(N)=O)cc2nc(N)n(CC=CCNC(=O)OC(C)(C)C)c12

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 19/20 0.65
▸ CYP3A4 P08684 1/20 0.54

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
SCHEMBL22925517 1.00 STING1 (0.65) STING1CYP3A4
SCHEMBL26772068 0.93 STING1 (0.57) STING1CYP3A4
Bromide SCHEMBL30615794 0.92 STING1 (0.56) STING1CYP3A4
Bromide SCHEMBL29791230 0.92 STING1 (0.56) STING1CYP3A4
Bromide SCHEMBL29080462 0.92 STING1 (0.56) STING1CYP3A4
SCHEMBL23077541 0.90 STING1 (0.57) STING1CYP3A4
SCHEMBL29437070 0.89 STING1 (0.54) STING1CYP3A4
SCHEMBL23095398 0.89 STING1 (0.54) STING1CYP3A4
SCHEMBL21643887 0.89 STING1 (0.54) STING1CYP3A4
SCHEMBL22121231 0.89 STING1 (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114585623-A Bis [ N- ((5-carbamoyl) -1H-benzo [ d ] imidazol-2-yl) pyrazole-5-carboxamide ] derivatives and related compounds as STING (interferon gene stimulator) agonists for the treatment of cancer 梅尔莎纳医疗公司 2022-06-03 — — CN disclosed
WO-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 — — WO disclosed
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