SCHEMBL24820649

SCHEMBL24820649

Cn1cnnc1-c1cc(F)ccc1-c1cccc(C(=O)CBr)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
CLK1 P49759 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTPN1 P18031 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.35
BACE1 P56817 2/20 0.34
PTGS2 P35354 1/20 0.34
KCNA5 P22460 1/20 0.34
KCNH2 Q12809 1/20 0.34
GSK3B P49841 1/20 0.34
CBLB Q13191 3/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EIF4EBP1 Q13541 2/20 0.33
GABRG2 P18507 1/20 0.32

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
SCHEMBL30152622 1.00 GAA (0.40) GAALMNACLK1SMN1; SMN2PTPN1
SCHEMBL30792073 0.87 KDM4C (0.45) GAALMNACLK1SMN1; SMN2KDM4C
SCHEMBL24819927 0.87 KDM4C (0.45) GAALMNACLK1SMN1; SMN2KDM4C
SCHEMBL24820650 0.87 GAA (0.45) GAALMNACLK1SMN1; SMN2ALDH1A1
SCHEMBL30792085 0.86 PARP1 (0.43) GAALMNACLK1SMN1; SMN2RAB9A
SCHEMBL30153202 0.81 LMNA (0.39) GAALMNACLK1SMN1; SMN2MAPK1
SCHEMBL29920328 0.79 GAA (0.39) GAALMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL30792258 0.78 ALDH1A1 (0.41) GAALMNAALDH1A1BACE1KDM4E
SCHEMBL24818953 0.77 LMNA (0.43) GAALMNAMAPK1
SCHEMBL27085837 0.77 BRD4 (0.39) GAALMNAMAPK1BACE1CBLB

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