SCHEMBL28849121

SCHEMBL28849121

Cc1nc(NC(=O)OC(C)(C)C)c2cc[nH]c2n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.39
JAK1 P23458 7/20 0.39
JAK2 O60674 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
LCK P06239 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
PSMB8 P28062 1/20 0.36
SYK P43405 1/20 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
SCHEMBL21413873 0.78 JAK1 (0.45) ACACBJAK1JAK2TYK2JAK3
SCHEMBL19738337 0.76 SYK (0.39) LCKSYK
SCHEMBL29838697 0.75 JAK3 (0.41) ACACBJAK1JAK2TYK2JAK3
SCHEMBL28937403 0.74 CA12 (0.38) LCKCA12CA1CA9PSMB8
SCHEMBL27392791 0.73 JAK2 (0.44) JAK1JAK2SYK
SCHEMBL13759613 0.73 ATR (0.42) JAK1JAK2TYK2JAK3RAB9A
SCHEMBL23458587 0.72 JAK3 (0.39) ACACBJAK1JAK2TYK2JAK3
SCHEMBL2768352 0.71 CA12 (0.39) RAB9ANPC1MEN1KMT2ALCK
SCHEMBL21961534 0.70 GSK3B (0.40) JAK1RAB9ANPC1MEN1GAA
SCHEMBL29510819 0.70 GSK3B (0.40) JAK1RAB9ANPC1MEN1GAA

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
CN-115135651-A Substituted nucleoside analogs as PRMT5 inhibitors 鲁皮恩有限公司 2022-09-30 CN disclosed