SCHEMBL29048015

SCHEMBL29048015

CC(C)(C)OC(=O)N1CCC(C#N)(Nc2ccc(Cl)c(F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.46
JAK1 P23458 11/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
F13A1 P00488 2/20 0.43
TGM2 P21980 2/20 0.43
TGM1 P22735 2/20 0.43
GPR119 Q8TDV5 1/20 0.42
TGM3 Q08188 1/20 0.40
CTSS P25774 2/20 0.40
CTSL P07711 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL29047987 0.91 JAK2 (0.54) JAK2JAK1MEN1KMT2AF13A1
SCHEMBL30494560 0.90 F13A1 (0.42) JAK2JAK1MEN1KMT2AF13A1
SCHEMBL17140944 0.83 JAK2 (0.49) JAK2JAK1MEN1KMT2ACTSS
SCHEMBL25248842 0.83 CYP2D6 (0.49) JAK2JAK1GPR119ALDH1A1
SCHEMBL222683 0.82 GPR119 (0.49) JAK2JAK1MEN1KMT2AGPR119
SCHEMBL761108 0.81 PTPN2 (0.43) JAK2JAK1GPR119NPC1ALDH1A1
SCHEMBL17140737 0.81 JAK2 (0.52) JAK2JAK1GPR119ALDH1A1
SCHEMBL17140650 0.80 JAK2 (0.50) JAK2JAK1GPR119
SCHEMBL191571 0.80 OPRM1 (0.46) JAK2JAK1MEN1KMT2AGPR119
SCHEMBL17140954 0.80 ALDH1A1 (0.57) JAK2JAK1KMT2AGPR119ALDH1A1

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
EP-4196478-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2023-06-21 EP disclosed
CN-116157404-A Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof 诺华股份有限公司 2023-05-23 CN disclosed