SCHEMBL13705608

SCHEMBL13705608

Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4cccnc4)c3c2)c1F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 15/20 0.68
CLK1 P49759 10/20 0.68
NTRK1 P04629 5/20 0.64
CLK4 Q9HAZ1 5/20 0.64
PRKD3 O94806 4/20 0.64
MAP4K4 O95819 4/20 0.64
EGFR P00533 4/20 0.64
AXL P30530 4/20 0.64
FLT4 P35916 4/20 0.64
FLT3 P36888 4/20 0.64
CLK2 P49760 4/20 0.64
MAP4K2 Q12851 4/20 0.64
CAMK2B Q13554 4/20 0.64
CAMK2G Q13555 4/20 0.64
CAMK2D Q13557 4/20 0.64
PTK6 Q13882 4/20 0.64
NTRK3 Q16288 4/20 0.64
PKN2 Q16513 4/20 0.64
MINK1 Q8N4C8 4/20 0.64
PRKD2 Q9BZL6 4/20 0.64

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
SCHEMBL13705612 0.87 CLK4 (0.64) DYRK1ACLK1NTRK1CLK4PRKD3
SCHEMBL13705600 0.85 PRKD3 (0.63) DYRK1ACLK1NTRK1CLK4PRKD3
SCHEMBL14236068 0.85 BRAF (0.53) DYRK1ACLK1NTRK1CLK4PRKD3
SCHEMBL13705602 0.85 BTK (0.62) DYRK1ACLK1NTRK1CLK4PRKD3
SCHEMBL13705606 0.84 PRKD3 (0.58) DYRK1ACLK1NTRK1CLK4PRKD3
SCHEMBL13705556 0.84 PRKD3 (0.61) DYRK1ACLK1NTRK1CLK4PRKD3
SCHEMBL13705611 0.83 BTK (0.59) DYRK1ACLK1NTRK1CLK4PRKD3
SCHEMBL13705580 0.81 BRAF (0.64) DYRK1ACLK1NTRK1CLK4PRKD3
SCHEMBL13705558 0.81 PRKD3 (0.56) DYRK1ACLK1NTRK1CLK4PRKD3
SCHEMBL1772392 0.81 BRAF (0.75) BRAF

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-2009111278-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-09-11 WO disclosed