SCHEMBL25296182

SCHEMBL25296182

CCn1nc(C)cc1C(=O)Nc1nc2cc(C#N)cc(OC)c2n1CCc1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 17/20 0.61
ENPP1 P22413 3/20 0.54
IRF3 Q14653 1/20 0.52

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
SCHEMBL30581455 1.00 STING1 (0.61) STING1ENPP1IRF3
SCHEMBL30581465 0.92 ENPP1 (0.63) STING1ENPP1
SCHEMBL25257029 0.92 ENPP1 (0.63) STING1ENPP1
SCHEMBL25827097 0.91 STING1 (0.60) STING1ENPP1IRF3
SCHEMBL25436853 0.91 ENPP1 (0.66) STING1ENPP1IRF3
SCHEMBL25426149 0.91 STING1 (0.60) STING1ENPP1IRF3
SCHEMBL25425859 0.87 STING1 (0.78) STING1ENPP1
SCHEMBL25425095 0.86 STING1 (0.69) STING1ENPP1IRF3
SCHEMBL25256221 0.85 ENPP1 (0.69) STING1ENPP1
SCHEMBL30581407 0.85 ENPP1 (0.69) STING1ENPP1

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-116444544-A Benzimidazole compound and medical application thereof 中国科学院上海药物研究所 2023-07-18 CN disclosed
WO-2023131333-A1 BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2023-07-13 WO disclosed
WO-2023131333-A1 BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2023-07-13 WO disclosed