SCHEMBL16655898

SCHEMBL16655898

NCc1cccnc1-c1cc(Cl)ncn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.53
CDC7 O00311 2/20 0.43
DAPK3 O43293 2/20 0.43
MAP4K4 O95819 2/20 0.43
PIM1 P11309 2/20 0.43
PRKACA P17612 2/20 0.43
CDK8 P49336 2/20 0.43
CLK2 P49760 2/20 0.43
GSK3B P49841 2/20 0.43
CDK7 P50613 2/20 0.43
CDK9 P50750 2/20 0.43
PRKX P51817 2/20 0.43
CDK5 Q00535 2/20 0.43
DYRK1A Q13627 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
FLT3 P36888 1/20 0.43
PKN2 Q16513 1/20 0.43
MINK1 Q8N4C8 1/20 0.43
HIPK2 Q9H2X6 1/20 0.43
STK17A Q9UEE5 1/20 0.43

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
SCHEMBL28265686 0.76 CD274 (0.44) DPP4CDC7DAPK3MAP4K4PIM1
SCHEMBL439097 0.75 DPP4 (0.63) DPP4LOXL2CCR9PNMTS100A4
SCHEMBL30595830 0.73 DPP4 (0.57) DPP4CDK7CDK5DYRK1ALOXL2
SCHEMBL1275952 0.73 DPP4 (0.57) DPP4CDK7CDK5DYRK1ALOXL2
SCHEMBL28267174 0.70 CDC7 (0.38) DPP4CDC7DAPK3MAP4K4PIM1
SCHEMBL1265477 0.68 CDC7 (0.56) CDC7DAPK3MAP4K4PIM1PRKACA
SCHEMBL904651 0.68
SCHEMBL16793938 0.68 AAK1 (0.40) CDC7DAPK3MAP4K4PIM1PRKACA
SCHEMBL29676551 0.68 AAK1 (0.40) CDC7DAPK3MAP4K4PIM1PRKACA
SCHEMBL29394904 0.67 KDM4E (0.56) CDC7DAPK3MAP4K4PIM1PRKACA

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-3057943-A1 PYRIMIDINE FGFR4 INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2016-08-24 EP disclosed
WO-2015057938-A1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed