SCHEMBL31459004

SCHEMBL31459004

CC1CC(c2cc(Br)c3nccnc3c2)(c2nnc(S)n2C)C1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HSD11B1 P28845 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
SCHEMBL31459406 0.83 CBLB (0.41) —
SCHEMBL31459060 0.80 CBL (0.32) —
SCHEMBL30521047 0.77 CBL (0.34) —
SCHEMBL31458845 0.76 CBLB (0.35) CYP3A4CYP2D6CYP2C9HSD11B1
SCHEMBL31459224 0.75 IDO1 (0.32) —
SCHEMBL31251303 0.74 HSD11B1 (0.31) HSD11B1
SCHEMBL30521175 0.74 CBL (0.32) —
SCHEMBL25414185 0.73 CBLB (0.33) HSD11B1
SCHEMBL30521223 0.73 CBL (0.31) —
SCHEMBL30872125 0.72 CBLB (0.34) CYP3A4CYP2D6CYP2C9HSD11B1

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
Send feedback