SCHEMBL21703103

SCHEMBL21703103

CCNc1cccn(Cc2nc3c(CC(C)C)c(F)cnc3[nH]2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 15/20 0.44
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.34
PTGER3 P43115 1/20 0.33
MAPK1 P28482 1/20 0.33
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL21703101 0.87 MAP4K1 (0.41) MAP4K1KDM4EALDH1A1MEN1KMT2A
SCHEMBL25952784 0.78 MAP4K1 (0.55) MAP4K1
SCHEMBL21684242 0.76 MAP4K1 (0.64) MAP4K1
SCHEMBL21684239 0.76 MAP4K1 (0.64) MAP4K1
SCHEMBL21684246 0.76 MAP4K1 (0.64) MAP4K1
SCHEMBL23452919 0.75 MAP4K1 (0.74) MAP4K1
SCHEMBL25938804 0.73 MAP4K1 (0.43) MAP4K1
SCHEMBL23452918 0.73 MAP4K1 (0.41) MAP4K1PKM
SCHEMBL25938742 0.73 MAP4K1 (0.39) MAP4K1
SCHEMBL21703430 0.72 P2RX3 (0.33) MAP4K1

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