SCHEMBL24818669

SCHEMBL24818669

Cn1cnnc1-c1cc(F)ccc1-c1cccc(-c2nc3cc(CNCC(C)(C)O)ccc3[nH]2)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 11/20 0.38
▸ BACE1 P56817 3/20 0.34
▸ BACE2 Q9Y5Z0 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ CDK9 P50750 1/20 0.32
▸ GUSB P08236 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ MGAM O43451 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SI P14410 1/20 0.31
▸ MGAM2 Q2M2H8 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
SCHEMBL30152909 1.00 VSIR (0.38) VSIRBACE1BACE2KDM4ECDK9
SCHEMBL24819848 0.93 VSIR (0.39) VSIRBACE1BACE2KDM4EGUSB
SCHEMBL30152624 0.87 CBLB (0.34) VSIR
SCHEMBL24820318 0.87 CBLB (0.34) VSIR
SCHEMBL24818859 0.86 GUSB (0.36) VSIRBACE1BACE2KDM4EGUSB
SCHEMBL30152678 0.86 GUSB (0.36) VSIRBACE1BACE2KDM4EGUSB
SCHEMBL24818813 0.84 GUSB (0.36) VSIRBACE1BACE2KDM4EGUSB
SCHEMBL30152902 0.83 VSIR (0.41) VSIRKDM4E
SCHEMBL24819911 0.83 VSIR (0.41) VSIRKDM4E
SCHEMBL24818678 0.81 CD274 (0.35) VSIRKCNH2

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-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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