SCHEMBL21482346

SCHEMBL21482346

C=NC(=N)c1ccnc2[nH]ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 7/20 0.48
PRKCI P41743 5/20 0.46
AXL P30530 1/20 0.46
AURKB Q96GD4 3/20 0.41
JAK2 O60674 3/20 0.41
IKBKB O14920 2/20 0.41
CHUK O15111 2/20 0.41
IGF1R P08069 2/20 0.41
DYRK1B Q9Y463 2/20 0.41
PRKACA P17612 2/20 0.41
JAK3 P52333 2/20 0.41
PRKCQ Q04759 2/20 0.41
ROCK1 Q13464 2/20 0.41
DAPK3 O43293 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
FGFR1 P11362 1/20 0.41

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
SCHEMBL15645614 0.78 NUDT1 (0.55) NUDT1PRKCIAXLAURKBJAK2
SCHEMBL15645224 0.78 NUDT1 (0.51) NUDT1PRKCIAXLAURKBJAK2
Hydrochloric Acid SCHEMBL28111964 0.77 NUDT1 (0.50) NUDT1PRKCIAXLAURKBJAK2
SCHEMBL29702872 0.73 NUDT1 (0.60) NUDT1PRKCIAXLAURKBJAK2
SCHEMBL1456822 0.73 NUDT1 (0.60) NUDT1PRKCIAXLAURKBJAK2
SCHEMBL18602380 0.72 NUDT1 (0.49) NUDT1PRKCIAXLAURKBJAK2
SCHEMBL12653267 0.72 NUDT1 (0.49) NUDT1PRKCIAXLAURKBJAK2
SCHEMBL12618980 0.72 NUDT1 (0.49) NUDT1PRKCIAXLAURKBJAK2
SCHEMBL3254384 0.71 NUDT1 (0.63) NUDT1PRKCIAXLAURKBJAK2
SCHEMBL2606616 0.71 NUDT1 (0.66) NUDT1PRKCIAXLAURKBJAK2

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-2019196720-A1 ARGININE METHYLTRANSFERASE INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 中国科学院上海药物研究所 2019-10-17 WO disclosed