SCHEMBL29047987

SCHEMBL29047987

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.54
JAK1 P23458 11/20 0.54
GPR119 Q8TDV5 1/20 0.44
F13A1 P00488 1/20 0.43
TGM2 P21980 1/20 0.43
TGM1 P22735 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
MMP2 P08253 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL29048015 0.91 JAK2 (0.46) JAK2JAK1GPR119F13A1TGM2
SCHEMBL25248842 0.86 CYP2D6 (0.49) JAK2JAK1GPR119ALDH1A1
SCHEMBL222683 0.84 GPR119 (0.49) JAK2JAK1GPR119ALDH1A1MEN1
SCHEMBL17140944 0.84 JAK2 (0.49) JAK2JAK1MEN1KMT2A
SCHEMBL761108 0.83 PTPN2 (0.43) JAK2JAK1GPR119ALDH1A1MAPT
SCHEMBL17140737 0.83 JAK2 (0.52) JAK2JAK1GPR119ALDH1A1PTPN2
SCHEMBL17140650 0.83 JAK2 (0.50) JAK2JAK1GPR119
SCHEMBL17140954 0.82 ALDH1A1 (0.57) JAK2JAK1GPR119ALDH1A1KMT2A
SCHEMBL17140574 0.81 JAK2 (0.53) JAK2JAK1ALDH1A1MAPTRAB9A
SCHEMBL30494560 0.81 F13A1 (0.42) JAK2JAK1GPR119F13A1TGM2

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