SCHEMBL24819869

SCHEMBL24819869

Cn1cnnc1-c1ccccc1-c1cccc(-c2nc3cccc(C(F)(F)F)c3o2)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 1/20 0.43
▸ SCN9A Q15858 3/20 0.38
▸ C1R P00736 1/20 0.38
▸ HSD11B1 P28845 7/20 0.37
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ VSIR Q9H7M9 4/20 0.35
▸ PIK3R1 P27986 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ NOTUM Q6P988 1/20 0.34
▸ TRPA1 O75762 1/20 0.34

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
SCHEMBL30152749 1.00 CBLB (0.43) CBLBSCN9AC1RHSD11B1TP53
SCHEMBL24819899 0.91 CBLB (0.39) CBLBSCN9AHSD11B1TP53MAPT
SCHEMBL24818731 0.90 NPC1 (0.40) CBLBSCN9AHSD11B1TP53MAPT
SCHEMBL24818812 0.87 CBLB (0.39) CBLBVSIRNOTUM
SCHEMBL30153053 0.87 CBLB (0.39) CBLBVSIRNOTUM
SCHEMBL30153127 0.87 S1PR1 (0.37) CBLBSCN9AVSIR
SCHEMBL24819786 0.87 S1PR1 (0.37) CBLBSCN9AVSIR
SCHEMBL24819872 0.86 CETP (0.39) CBLBSCN9ATP53MAPTVSIR
SCHEMBL24820501 0.86 CBLB (0.37) CBLBSCN9AHSD11B1TP53MAPT
SCHEMBL30153254 0.86 CBLB (0.37) CBLBSCN9AHSD11B1TP53MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117858865-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 — — CN disclosed
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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