SCHEMBL17610508

SCHEMBL17610508

Nc1ncc(C(=O)O)c(-c2cnc3ccccc3c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.50
MAP4K4 O95819 1/20 0.45
CSNK1G2 P78368 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
MAP4K5 Q9Y4K4 1/20 0.45
BMPR1B O00238 1/20 0.44
PIK3C2G O75747 1/20 0.44
CDKL5 O76039 1/20 0.44
PIM1 P11309 1/20 0.44
TYK2 P29597 1/20 0.44
CLK2 P49760 1/20 0.44
DYRK1A Q13627 1/20 0.44
STK32B Q9NY57 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
IRAK3 Q9Y616 1/20 0.44
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL17610492 0.89 IKBKB (0.49) MGAMMAP4K4CSNK1G2CLK4MKNK2
SCHEMBL30315868 0.82 ADORA1 (0.55) ADORA2AADORA1CDC7
SCHEMBL31127610 0.79 MGAM (0.57) MGAMMAP4K4CSNK1G2CLK4MKNK2
SCHEMBL17799551 0.79 MGAM (0.57) MGAMMAP4K4CSNK1G2CLK4MKNK2
SCHEMBL17610507 0.78 MGAM (0.54) MGAMMAP4K4CSNK1G2CLK4MKNK2
SCHEMBL17610539 0.78 HPGDS (0.43) MGAMMAP4K4CSNK1G2CLK4MKNK2
SCHEMBL17610530 0.76 MGAM (0.50) MGAMMAP4K4CSNK1G2CLK4MKNK2
SCHEMBL17610545 0.75 ADORA2A (0.68) BMPR1BPIK3C2GCDKL5PIM1TYK2
SCHEMBL17610475 0.74 HPGDS (0.50) CLK4CLK2DYRK1A
SCHEMBL856589 0.74 ADORA1 (0.58) BMPR1BPIK3C2GCDKL5PIM1TYK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3193611-A2 MK2 INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2017-07-26 EP disclosed
WO-2016044463-A2 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-03-24 WO disclosed