SCHEMBL30047237

SCHEMBL30047237

O=c1c(=O)n(C2CCC2)ccn1Cc1ccc(-c2ccccc2)nn1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 9/20 0.64
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
ACHE P22303 3/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 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
SCHEMBL27163789 1.00 IL4I1 (0.64) IL4I1CYP11B1CYP11B2ACHEKMT2A
SCHEMBL30948020 0.98 IL4I1 (0.63) IL4I1CYP11B1CYP11B2ACHEKMT2A
SCHEMBL30948249 0.87 IL4I1 (0.49) IL4I1CYP11B1CYP11B2
SCHEMBL30947909 0.87 IL4I1 (0.62) IL4I1CYP11B1CYP11B2
SCHEMBL30948078 0.85 IL4I1 (0.65) IL4I1CYP11B1CYP11B2
SCHEMBL30948097 0.84 IL4I1 (0.70) IL4I1CYP11B1CYP11B2ACHEKMT2A
SCHEMBL30948219 0.83 IL4I1 (0.57) IL4I1
SCHEMBL30948039 0.83 IL4I1 (0.63) IL4I1CYP11B1CYP11B2
SCHEMBL30947966 0.82 IL4I1 (0.67) IL4I1CYP11B1CYP11B2ACHEKMT2A
SCHEMBL30948185 0.81 IL4I1 (0.54) IL4I1

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
EP-4329889-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2024-03-06 EP disclosed
WO-2022227015-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2022-11-03 WO disclosed
WO-2022232333-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2022-11-03 WO disclosed