SCHEMBL21703213

SCHEMBL21703213

Nc1cccn(Cc2nc3cc(F)cc(CCC(F)(F)F)c3[nH]2)c1=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 3/20 0.32
ELANE P08246 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ATP4A P20648 1/20 0.30
ATP4B P51164 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
SCHEMBL25941085 0.87 MAP4K1 (0.38) MAP4K1
SCHEMBL21685669 0.86 ALDH1A1 (0.46) MAP4K1ELANE
SCHEMBL21685237 0.75 MAP4K1 (0.32) MAP4K1ELANE
SCHEMBL21685451 0.75 DRD4 (0.40) MAP4K1ATP4AATP4B
SCHEMBL25941029 0.74 MAP4K1 (0.52) MAP4K1
SCHEMBL21685171 0.73 MAP4K1 (0.54) MAP4K1ELANE
SCHEMBL21703236 0.72 ELANE (0.33) ELANE
SCHEMBL31450500 0.70 MAP4K1 (0.55) MAP4K1
SCHEMBL31450727 0.70 MAP4K1 (0.52) MAP4K1
SCHEMBL21703024 0.70 MAP4K1 (0.37) MAP4K1ELANE

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-2020033784-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. (US) 2020-02-13 WO disclosed