SCHEMBL25308802

SCHEMBL25308802

CC(C)(C)OC(=O)N1C2CCC1CN(c1ncc(C(F)(F)F)cc1F)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.49
JAK2 O60674 1/20 0.49
TYK2 P29597 1/20 0.49
JAK3 P52333 1/20 0.49
ACACB O00763 2/20 0.47
HDAC1 Q13547 1/20 0.44
GPR119 Q8TDV5 2/20 0.43
HSD11B1 P28845 1/20 0.43
CHRM2 P08172 3/20 0.41
CHRM1 P11229 3/20 0.41
CHRM3 P20309 3/20 0.41
CHRM5 P08912 1/20 0.41
EIF2AK4 Q9P2K8 1/20 0.40
NTRK1 P04629 1/20 0.40
CXCR3 P49682 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A9 P48067 2/20 0.39
KCNH2 Q12809 2/20 0.39
HCRTR1 O43613 1/20 0.39

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
SCHEMBL30510806 1.00 JAK1 (0.49) JAK1JAK2TYK2JAK3ACACB
SCHEMBL25310830 0.88 KMT2A (0.53) MEN1KMT2A
SCHEMBL30510779 0.88 KMT2A (0.53) MEN1KMT2A
SCHEMBL24962970 0.83 GPR119 (0.57) JAK1JAK2TYK2JAK3ACACB
SCHEMBL25309474 0.80 HDAC1 (0.57) ACACBHDAC1GPR119HSD11B1MEN1
SCHEMBL30165102 0.80 HDAC1 (0.57) ACACBHDAC1GPR119HSD11B1MEN1
SCHEMBL31027289 0.80 MEN1 (0.57) GPR119CXCR3MEN1KMT2ASLC6A9
SCHEMBL4903232 0.80 MEN1 (0.57) GPR119CXCR3MEN1KMT2ASLC6A9
SCHEMBL20071202 0.77 JAK1 (0.43) JAK1JAK2TYK2JAK3HDAC1
SCHEMBL31458782 0.77 JAK1 (0.43) JAK1JAK2TYK2JAK3HDAC1

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-2023139536-A1 (4-PIPERAZIN-1YL)-4-ALKYL-PHTHALAZIN-1(2H)-ONE COMPOUNDS AS PARP7 INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 WO disclosed