SCHEMBL25938264

SCHEMBL25938264

CC(Cc1ccccc1)c1ncnc2[nH]c(Cn3cccc(N)c3=O)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 6/20 0.36
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
RGS12 O14924 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
PNP P00491 2/20 0.33
BRD4 O60885 2/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
BRDT Q58F21 1/20 0.33
ELANE P08246 1/20 0.32
P2RX7 Q99572 1/20 0.32
TLR7 Q9NYK1 1/20 0.31
VEGFA P15692 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL21702894 0.81 MAP4K1 (0.36) MAP4K1ELANE
SCHEMBL21702897 0.80 MEN1 (0.38) MAP4K1KDM4EALDH1A1POLBMEN1
SCHEMBL21685522 0.79 MAP4K1 (0.45) MAP4K1
SCHEMBL21702899 0.75 MAP4K1 (0.46) MAP4K1KDM4EALDH1A1POLBMEN1
SCHEMBL25949320 0.74 MAP4K1 (0.34) MAP4K1KDM4EALDH1A1POLBMEN1
SCHEMBL21685592 0.73 MAP4K1 (0.46) MAP4K1ELANE
SCHEMBL21703101 0.73 MAP4K1 (0.41) MAP4K1KDM4EALDH1A1MEN1KMT2A
SCHEMBL21703150 0.71 MAP4K1 (0.46) MAP4K1KDM4EALDH1A1
SCHEMBL25938179 0.71 MAP4K1 (0.35) MAP4K1KDM4EALDH1A1POLBMEN1
SCHEMBL25938742 0.70 MAP4K1 (0.39) 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
EP-4219460-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 EP disclosed