SCHEMBL30124697

SCHEMBL30124697

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.46
GPR119 Q8TDV5 4/20 0.43
HDAC1 Q13547 1/20 0.42
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HSD11B1 P28845 1/20 0.40
RET P07949 3/20 0.40
JAK2 O60674 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
PREP P48147 3/20 0.37
KCNK3 O14649 4/20 0.35
KCNK9 Q9NPC2 4/20 0.35

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
SCHEMBL30123901 0.84 JAK1 (0.47) JAK1GPR119HDAC1CHRM2CHRM1
SCHEMBL20071342 0.80 HDAC1 (0.57) JAK1GPR119HDAC1CHRM2CHRM1
SCHEMBL29182739 0.80 GPR119 (0.43) JAK1GPR119HDAC1CHRM2CHRM1
SCHEMBL30124506 0.80 GPR119 (0.43) JAK1GPR119HDAC1CHRM2CHRM1
SCHEMBL31458782 0.75 JAK1 (0.43) JAK1GPR119HDAC1CHRM2CHRM1
SCHEMBL31458783 0.75 JAK1 (0.43) JAK1GPR119HDAC1CHRM2CHRM1
SCHEMBL20071202 0.75 JAK1 (0.43) JAK1GPR119HDAC1CHRM2CHRM1
SCHEMBL30930878 0.74 JAK1 (0.41) JAK1GPR119HDAC1CHRM2CHRM1
SCHEMBL30124006 0.74 JAK1 (0.41) JAK1GPR119HDAC1CHRM2CHRM1
SCHEMBL20070773 0.73 RET (0.51) GPR119HDAC1CHRM2CHRM1CHRM3

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