SCHEMBL24818813

SCHEMBL24818813

Cn1cnnc1-c1cc(F)ccc1-c1cccc(-c2nc3cc(CN)ccc3[nH]2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 2/20 0.36
▸ BACE1 P56817 4/20 0.35
▸ BACE2 Q9Y5Z0 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ MGAM O43451 1/20 0.35
▸ SI P14410 1/20 0.35
▸ MGAM2 Q2M2H8 1/20 0.35
▸ NPBWR1 P48145 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ VSIR Q9H7M9 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ MAPT P10636 2/20 0.33

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
SCHEMBL30152678 0.91 GUSB (0.36) GUSBBACE1BACE2GAAMGAM
SCHEMBL24818859 0.91 GUSB (0.36) GUSBBACE1BACE2GAAMGAM
SCHEMBL30152881 0.86 NPC1 (0.46) BACE1BACE2GAAMGAMSI
SCHEMBL24818670 0.86 NPC1 (0.46) BACE1BACE2GAAMGAMSI
SCHEMBL24819848 0.85 VSIR (0.39) GUSBBACE1BACE2GAAMGAM
SCHEMBL30152909 0.84 VSIR (0.38) GUSBBACE1BACE2GAAMGAM
SCHEMBL24818669 0.84 VSIR (0.38) GUSBBACE1BACE2GAAMGAM
SCHEMBL30152726 0.84 BRD4 (0.40) GUSBBACE1BACE2GAAMGAM
SCHEMBL24818738 0.84 BRD4 (0.40) GUSBBACE1BACE2GAAMGAM
SCHEMBL24818678 0.81 CD274 (0.35) VSIR

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
Send feedback