SCHEMBL30123901

SCHEMBL30123901

Cc1ncc(Cl)cc1N1CC2CCC(C1)N2C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.47
GPR119 Q8TDV5 4/20 0.45
HDAC1 Q13547 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
HSD11B1 P28845 1/20 0.42
KCNK3 O14649 3/20 0.41
KCNK9 Q9NPC2 3/20 0.41
JAK2 O60674 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
RET P07949 2/20 0.39
PREP P48147 2/20 0.38
NR3C1 P04150 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL30124697 0.84 JAK1 (0.46) JAK1GPR119HDAC1CHRM2CHRM1
SCHEMBL25310135 0.82 GPR119 (0.59) JAK1GPR119HDAC1CHRM2CHRM1
SCHEMBL5041626 0.79 HDAC1 (0.59) JAK1GPR119HDAC1CHRM2CHRM1
SCHEMBL21262007 0.79 HDAC1 (0.59) JAK1GPR119HDAC1CHRM2CHRM1
SCHEMBL30250122 0.77 JAK1 (0.45) JAK1GPR119HDAC1CHRM2CHRM1
SCHEMBL25537463 0.77 JAK1 (0.45) JAK1GPR119HDAC1CHRM2CHRM1
SCHEMBL30930878 0.76 JAK1 (0.41) JAK1GPR119HDAC1CHRM2CHRM1
SCHEMBL30124006 0.76 JAK1 (0.41) JAK1GPR119HDAC1CHRM2CHRM1
SCHEMBL21405289 0.75 JAK1 (0.47) JAK1GPR119HDAC1CHRM2CHRM1
SCHEMBL29790234 0.75 JAK1 (0.47) JAK1GPR119HDAC1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4351560-A1 ANTICANCER COMPOUNDS The Regents of the University of California (US) 2024-04-17 EP disclosed
CN-117794525-A Anticancer compounds 加利福尼亚大学董事会 2024-03-29 CN disclosed
WO-2022261204-A1 ANTICANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-15 WO disclosed