SCHEMBL4619476

SCHEMBL4619476

Nc1ncc(-c2cccc(F)c2)cc1-c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.64
FYN P06241 5/20 0.60
ATR Q13535 1/20 0.51
USP7 Q93009 2/20 0.49
MEN1 O00255 1/20 0.49
PSIP1 O75475 1/20 0.49
AXL P30530 1/20 0.49
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
NTRK1 P04629 1/20 0.48
PIK3CA P42336 1/20 0.48
DYRK1A Q13627 1/20 0.48
VRK1 Q99986 1/20 0.48
MAP4K4 O95819 5/20 0.47
HPGDS O60760 1/20 0.47
JAK2 O60674 1/20 0.46

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
SCHEMBL4620369 0.82 USP7 (0.73) CHEK2FYNUSP7MAP4K4
SCHEMBL12489152 0.82 CHEK2 (0.71) CHEK2FYNUSP7MKNK1MAP4K4
SCHEMBL8225016 0.81 CYP2A6 (0.62) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL4620478 0.78 CHEK2 (1.00) CHEK2FYNMKNK1MAP4K4
SCHEMBL18263126 0.76 FYN (0.58) CHEK2FYNATRUSP7MAP4K4
SCHEMBL4470993 0.76 CHEK2 (0.56) CHEK2FYNUSP7MEN1VRK1
SCHEMBL16835804 0.76 FYN (0.52) CHEK2FYNATRMEN1PSIP1
SCHEMBL17011907 0.76 CHEK2 (0.63) CHEK2FYNUSP7MKNK1MKNK2
SCHEMBL26916929 0.75 CHEK2 (0.55) CHEK2FYNUSP7MEN1PSIP1
SCHEMBL29582616 0.75 CHEK2 (0.55) CHEK2FYNUSP7MEN1PSIP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1900727-A1 Aminopyridine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 EP claimed
WO-2008025820-A1 AMINOPYRIDINE DERIVATES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO claimed
EP-1900727-A1 Aminopyridine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 EP disclosed
WO-2008025820-A1 AMINOPYRIDINE DERIVATES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO disclosed