SCHEMBL31458845

SCHEMBL31458845

CC1CC(c2ccc(F)c(Br)c2)(c2nnc(S)n2C)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 10/20 0.35
▸ CBL P22681 9/20 0.35
▸ HSD11B1 P28845 9/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ ABCC9 O60706 1/20 0.31
▸ ABCC8 Q09428 1/20 0.31
▸ KCNJ11 Q14654 1/20 0.31
▸ KCNJ8 Q15842 1/20 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
SCHEMBL31458876 0.82 CBLB (0.48) CBLBCBL
SCHEMBL31459060 0.80 CBL (0.32) CBLBCBL
SCHEMBL30521175 0.80 CBL (0.32) CBLBCBL
SCHEMBL30521047 0.80 CBL (0.34) CBLBCBL
SCHEMBL31251303 0.77 HSD11B1 (0.31) CBLBCBLHSD11B1
SCHEMBL31459004 0.76 CYP3A4 (0.31) HSD11B1CYP3A4CYP2D6CYP2C9
SCHEMBL30521223 0.76 CBL (0.31) CBLBCBL
SCHEMBL31459224 0.75 IDO1 (0.32) —
SCHEMBL25262977 0.75 HSD11B1 (0.35) CBLBCBLHSD11B1CYP3A4CYP2D6
SCHEMBL25311812 0.75 HSD11B1 (0.35) CBLBCBLHSD11B1CYP3A4CYP2D6

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
WO-2025067227-A1 PREPARATION METHOD FOR CBL-B REGULATOR, AND USE 浙江华海药业股份有限公司 2025-04-03 — — WO disclosed
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