SCHEMBL22150402

SCHEMBL22150402

Cc1cc(C(N)=O)cc2nc(NC(=O)c3cccn3C)n(C/C=C/Cn3c(NC(=O)c4cccn4C)nc4cc(C(N)=O)ccc43)c12

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 19/20 0.52
TBK1 Q9UHD2 1/20 0.52
OPRK1 P41145 1/20 0.47

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
SCHEMBL29684418 1.00 STING1 (0.52) STING1TBK1OPRK1
SCHEMBL28751728 1.00 STING1 (0.52) STING1TBK1OPRK1
SCHEMBL29685013 0.87 STING1 (0.49) STING1TBK1
SCHEMBL22150267 0.87 STING1 (0.49) STING1TBK1
SCHEMBL28751744 0.87 STING1 (0.49) STING1TBK1
SCHEMBL22150418 0.86 STING1 (0.50) STING1TBK1
SCHEMBL22150302 0.86 STING1 (0.63) STING1TBK1
SCHEMBL19451659 0.85 STING1 (0.71) STING1TBK1
SCHEMBL28597016 0.85 STING1 (0.71) STING1TBK1
SCHEMBL22151336 0.85 STING1 (0.48) STING1TBK1

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 3 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 claimed
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