SCHEMBL29689433

SCHEMBL29689433

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1C/C=C/Cn1c(N)nc2cc(C(N)=O)cc(OCCCO[Si](C)(C)C(C)(C)C)c21

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 20/20 0.63
▸ CYP3A4 P08684 1/20 0.61
▸ TBK1 Q9UHD2 1/20 0.56

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
SCHEMBL19451551 1.00 STING1 (0.63) STING1CYP3A4TBK1
SCHEMBL28419308 1.00 STING1 (0.63) STING1CYP3A4TBK1
SCHEMBL28413976 0.96 STING1 (0.68) STING1CYP3A4TBK1
SCHEMBL19451769 0.96 STING1 (0.68) STING1CYP3A4TBK1
SCHEMBL29626027 0.96 STING1 (0.68) STING1CYP3A4TBK1
SCHEMBL29689199 0.92 STING1 (0.76) STING1CYP3A4
SCHEMBL20066424 0.91 STING1 (0.69) STING1CYP3A4TBK1
SCHEMBL27204003 0.90 STING1 (0.76) STING1CYP3A4
SCHEMBL27204043 0.90 STING1 (0.76) STING1CYP3A4
SCHEMBL20876384 0.89 STING1 (0.60) STING1CYP3A4TBK1

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
Send feedback