SCHEMBL25836231

SCHEMBL25836231

CC(c1ccc2nccn2c1)N(N)c1nc(-c2cn[nH]c2)cnc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.38
NQO2 P16083 1/20 0.38
MAPK8 P45983 1/20 0.36
JAK2 O60674 2/20 0.35
DYRK1A Q13627 1/20 0.34
PIK3CA P42336 2/20 0.32
CHEK1 O14757 2/20 0.32
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR4 P22455 1/20 0.31
FGFR3 P22607 1/20 0.31
KDR P35968 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
MAPK1 P28482 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 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
SCHEMBL20004070 0.85 MET (0.41) METNQO2JAK2DYRK1APIK3CA
SCHEMBL22109191 0.83 MET (0.38) METNQO2JAK2DYRK1APIK3CA
SCHEMBL29317548 0.81 MET (0.37) METNQO2JAK2DYRK1APIK3CA
SCHEMBL21167379 0.81 MAPK8 (0.42) METNQO2MAPK8JAK2DYRK1A
SCHEMBL29315243 0.79 MET (0.34) METNQO2JAK2DYRK1APIK3CA
SCHEMBL29315788 0.78 MET (0.40) METNQO2JAK2DYRK1AFGFR1
SCHEMBL29314918 0.73 MET (0.36) METNQO2JAK2DYRK1APIK3CA
SCHEMBL25426802 0.72 MET (0.72) METNQO2
SCHEMBL12487598 0.72 MET (0.72) METNQO2
SCHEMBL1832761 0.69 DYRK1A (0.58) DYRK1APIK3CACHEK1TGFBR1

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-3849977-B1 IMPROVED METHOD FOR THE MANUFACTURE OF 3-[(1S)-1-IMIDAZO[1,2-A]PYRIDIN-6-YLETHYL]-5-(1-METHYLPYRAZOL-4-YL)TRIAZOLO[4,5-B]PYRAZINE AND POLYMORPHIC FORMS THEREOF ASTRAZENECA AB (SE) 2023-07-19 EP disclosed