SCHEMBL29684274

SCHEMBL29684274

Cc1nc(C)c(C(=O)Nc2nc3cc(C(N)=O)ccc3n2C/C=C/Cn2c(NC(=O)c3oc(C)nc3C)nc3cc(C(N)=O)cc(C)c32)o1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 19/20 0.52
TBK1 Q9UHD2 1/20 0.45
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL22150260 1.00 STING1 (0.52) STING1TBK1KMT2ACYP3A4CYP2D6
SCHEMBL28751732 1.00 STING1 (0.52) STING1TBK1KMT2ACYP3A4CYP2D6
SCHEMBL22151399 0.91 STING1 (0.46) STING1TBK1KMT2ACYP3A4CYP2D6
SCHEMBL22121519 0.91 STING1 (0.64) STING1TBK1KMT2A
SCHEMBL22121523 0.91 STING1 (0.64) STING1TBK1KMT2A
SCHEMBL22151737 0.86 STING1 (0.60) STING1TBK1
SCHEMBL22150282 0.85 STING1 (0.46) STING1
SCHEMBL22150418 0.84 STING1 (0.50) STING1TBK1
SCHEMBL22151335 0.84 TSHR (0.50) STING1TBK1KMT2A
SCHEMBL29684787 0.84 TSHR (0.50) STING1TBK1KMT2A

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
EP-4007758-A1 BIS-[N-((5-CARBAMOYL)-1H-BENZO[D]IMIDAZOL-2-YL)-PYRAZOL-5-CARBOXAMIDE] DERIVATIVES AND RELATED COMPOUNDS AS STING (STIMULATOR OF INTERFERON GENES) AGONISTS FOR THE TREATMENT OF CANCER Mersana Therapeutics, Inc. (US) 2022-06-08 EP 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 claimed
EP-4007758-A1 BIS-[N-((5-CARBAMOYL)-1H-BENZO[D]IMIDAZOL-2-YL)-PYRAZOL-5-CARBOXAMIDE] DERIVATIVES AND RELATED COMPOUNDS AS STING (STIMULATOR OF INTERFERON GENES) AGONISTS FOR THE TREATMENT OF CANCER Mersana Therapeutics, Inc. (US) 2022-06-08 EP disclosed
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