SCHEMBL21386280

SCHEMBL21386280

C#CC(C)(C)C(=O)Nc1ccc(C)nn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
EGLN2 Q96KS0 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EDNRA P25101 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MAP4K1 Q92918 1/20 0.31
RAB9A P51151 2/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
KCNH2 Q12809 1/20 0.30
GLS O94925 1/20 0.30

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
SCHEMBL3922902 0.82 L3MBTL1 (0.48) SORT1MAPTKDM4EGAAKMT2A
SCHEMBL28941022 0.74 SORT1 (0.54) SORT1MAPTKDM4EGAAEGLN2
SCHEMBL14009931 0.72 GLS (0.50) SORT1MAPTKDM4EGAAL3MBTL1
SCHEMBL18802301 0.70 HPGD (0.53) SORT1MAPTKDM4EGAAL3MBTL1
SCHEMBL18624726 0.68 SORT1 (0.46) SORT1MAPTKDM4EGAAMEN1
SCHEMBL31451576 0.68 SORT1 (0.46) SORT1MAPTKDM4EGAA
SCHEMBL30071321 0.68 SORT1 (0.46) SORT1MAPTKDM4EGAAL3MBTL1
SCHEMBL2189033 0.67 SORT1 (0.48) SORT1MAPTKDM4EGAARAB9A
SCHEMBL17816472 0.66 NPC1 (0.41) MEN1KMT2ARAB9A
SCHEMBL12883364 0.64 SORT1 (0.37) SORT1MAPTKDM4EGAAKMT2A

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
EP-3233839-B1 HETEROCYCLYL LINKED IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KBETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-09-25 EP disclosed