SCHEMBL29689171

SCHEMBL29689171

NC(=O)c1cnc2c(c1)nc(N)n2C/C=C/Cn1c(N)nc2cc(C(N)=O)cc(Br)c21

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 11/20 0.42
▸ ADORA2A P29274 1/20 0.33

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
SCHEMBL28752004 1.00 STING1 (0.42) STING1ADORA2A
SCHEMBL28752005 1.00 STING1 (0.42) STING1ADORA2A
SCHEMBL21620360 0.89 STING1 (0.42) STING1ADORA2A
Bromide SCHEMBL21616426 0.87 STING1 (0.41) STING1ADORA2A
SCHEMBL28602277 0.81 KMT2A (0.46) —
SCHEMBL28602275 0.81 KMT2A (0.46) —
SCHEMBL27207460 0.79 STING1 (0.41) STING1ADORA2A
SCHEMBL21620363 0.79 STING1 (0.39) STING1ADORA2A
SCHEMBL27204002 0.79 STING1 (0.41) STING1ADORA2A
SCHEMBL19451779 0.78 STING1 (0.48) STING1

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
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
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