SCHEMBL21887566

SCHEMBL21887566

CC(C)n1cc(-c2cncc(N)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.49
MKNK2 Q9HBH9 3/20 0.49
PIK3CD O00329 2/20 0.48
PIK3CA P42336 2/20 0.48
PIK3CG P48736 2/20 0.48
PIP5K1C O60331 1/20 0.48
PI4KA P42356 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
MET P08581 1/20 0.40
KDM5B Q9UGL1 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.35
ACHE P22303 2/20 0.35
DYRK1B Q9Y463 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PDK2 Q15119 2/20 0.34
AXL P30530 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL29405390 1.00 MKNK1 (0.49) MKNK1MKNK2PIK3CDPIK3CAPIK3CG
SCHEMBL29371526 0.79 PIK3CD (0.53) MKNK1MKNK2PIK3CDPIK3CAPIK3CG
SCHEMBL21876209 0.79 PIK3CD (0.53) MKNK1MKNK2PIK3CDPIK3CAPIK3CG
SCHEMBL22165237 0.77 PIK3CD (0.55) MKNK1MKNK2PIK3CDPIK3CAPIK3CG
SCHEMBL29401966 0.75 PIK3CD (0.44) MKNK1MKNK2PIK3CDPIK3CAPIK3CG
SCHEMBL31705611 0.75 MKNK1 (0.51) MKNK1MKNK2PIK3CDPIK3CAPIK3CG
SCHEMBL21819049 0.73 KIT (0.36) MKNK1MKNK2KDM5BIRAK4DYRK1B
SCHEMBL21887565 0.72 PIK3CD (0.44) MKNK1MKNK2PIK3CDPIK3CAPIK3CG
SCHEMBL574538 0.72
SCHEMBL21471881 0.72 CREBBP (0.49) MKNK1MKNK2PIK3CDPIK3CAPIK3CG

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-2020061112-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2020-03-26 WO disclosed