SCHEMBL30872125

SCHEMBL30872125

CC1CC(c2ccnc(Cl)c2)(c2nnc(S)n2C)C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 9/20 0.34
▸ CBL P22681 8/20 0.34
▸ HSD11B1 P28845 5/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ GRM5 P41594 3/20 0.31

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
SCHEMBL30521047 0.85 CBL (0.34) CBLBCBL
SCHEMBL25414185 0.85 CBLB (0.33) CBLBCBLHSD11B1
SCHEMBL30872146 0.81 CBLB (0.48) CBLBCBL
SCHEMBL31459013 0.81 CBLB (0.34) CBLBCBL
SCHEMBL30184943 0.81 CBLB (0.37) CBLBCBLHSD11B1
SCHEMBL31274881 0.78 CBLB (0.35) CBLBCBLHSD11B1
SCHEMBL31275333 0.78 CBLB (0.35) CBLB
SCHEMBL26338174 0.77 CBLB (0.40) CBLBCBL
SCHEMBL31251303 0.76 HSD11B1 (0.31) CBLBCBLHSD11B1
SCHEMBL31459060 0.76 CBL (0.32) CBLBCBL

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
CN-117940404-A Tricyclic compounds as Cbl-b inhibitors 海南先声再明医药股份有限公司 2024-04-26 — — CN disclosed
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