SCHEMBL8228733

SCHEMBL8228733

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)C2C=CC(F)=CC2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.37
DPP4 P27487 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
RXRA P19793 4/20 0.33
PIK3CA P42336 1/20 0.33
KDR P35968 2/20 0.33
CLK2 P49760 2/20 0.33
HIPK4 Q8NE63 2/20 0.33
SRPK1 Q96SB4 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
STK17A Q9UEE5 2/20 0.33
PLK4 O00444 1/20 0.33
DYRK3 O43781 1/20 0.33
MAP4K4 O95819 1/20 0.33
CDK1 P06493 1/20 0.33
RET P07949 1/20 0.33
ROS1 P08922 1/20 0.33
FGFR1 P11362 1/20 0.33
FER P16591 1/20 0.33

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
SCHEMBL647037 0.86 ABL1 (0.52) ABL1GSK3B
SCHEMBL645418 0.84 ABL1 (0.48) ABL1PIK3CAGSK3B
SCHEMBL646571 0.84 ABL1 (0.48) ABL1PIK3CADYRK1AGSK3B
SCHEMBL647015 0.83 ADORA3 (0.47) ABL1PIK3CAGSK3B
SCHEMBL647637 0.80 SMN1; SMN2 (0.44) RXRAKDRCLK2HIPK4SRPK1
SCHEMBL646580 0.80 DEGS1 (0.45) ABL1DYRK1AGSK3B
SCHEMBL645754 0.79 HPGDS (0.40) KDRCLK2HIPK4SRPK1CLK4
SCHEMBL645596 0.79 MEN1 (0.44) ABL1
SCHEMBL646895 0.79 HPGDS (0.41) RXRA
SCHEMBL647154 0.78 RAB9A (0.43) KDRCLK2HIPK4SRPK1CLK4

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-2007109362-A2 BENZOIMIDAZOLYL-PARAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-09-27 WO disclosed