SCHEMBL15533252

SCHEMBL15533252

Oc1ccc(-c2ccnc(Nc3ccc(C(F)(F)F)nc3)n2)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DKK1 O94907 1/20 0.47
GSK3B P49841 1/20 0.47
SYK P43405 4/20 0.46
IKBKB O14920 4/20 0.45
PLK1 P53350 2/20 0.45
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
CLK1 P49759 2/20 0.43
CLK2 P49760 2/20 0.43
DYRK1A Q13627 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
DYRK1B Q9Y463 2/20 0.43
JAK2 O60674 2/20 0.42
JAK3 P52333 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42

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
SCHEMBL15534289 0.84 SYK (0.59) DKK1GSK3BSYKIKBKBPLK1
SCHEMBL15534009 0.81 MAPT (0.48) GSK3BSYKIKBKBPIK3CAPIK3CB
SCHEMBL15534293 0.80 SYK (0.49) SYKPLK1CLK1CLK2DYRK1A
SCHEMBL15533886 0.79 CLK1 (0.67) GSK3BSYKCLK1CLK2DYRK1A
SCHEMBL15533699 0.78 CCNB2 (0.43) PLK1PIK3CAPIK3CBPIK3CGABL1
SCHEMBL15533974 0.78 ABL1 (0.69) ABL1BCRCLK4
SCHEMBL15534348 0.77 MEN1 (0.46) SYKIKBKBCLK1CLK2DYRK1A
SCHEMBL28020002 0.77 SYK (0.56) SYK
SCHEMBL15534057 0.76 CLK1 (0.47) SYKCLK1CLK2DYRK1ACLK4
SCHEMBL15533101 0.75 CCNB2 (0.55) GSK3BPIK3CAPIK3CBPIK3CGCLK1

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
WO-2013175415-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND USES THEREOF Piramal Enterprises Limited (IN) 2013-11-28 WO claimed
WO-2013175415-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND USES THEREOF Piramal Enterprises Limited (IN) 2013-11-28 WO disclosed