SCHEMBL27689864

SCHEMBL27689864

CC(C)Oc1cc(-n2cnc3cnc(NC(C)c4ccc(F)cc4)nc32)n[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 17/20 0.61
JAK2 O60674 3/20 0.45
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
ABL1 P00519 1/20 0.43
FGR P09769 1/20 0.43
FGFR1 P11362 1/20 0.43
SRC P12931 1/20 0.43
PHKG2 P15735 1/20 0.43
FLT4 P35916 1/20 0.43
FLT3 P36888 1/20 0.43
SIK1 P57059 1/20 0.43
MAP3K9 P80192 1/20 0.43
PTK2 Q05397 1/20 0.43
BTK Q06187 1/20 0.43
ITK Q08881 1/20 0.43
MAPK14 Q16539 1/20 0.43
TSSK2 Q96PF2 1/20 0.43
WNK3 Q9BYP7 1/20 0.43
ALK Q9UM73 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
SCHEMBL3698238 1.00 NTRK1 (0.61) NTRK1JAK2AURKAAURKBABL1
SCHEMBL3781243 0.89 NTRK1 (0.77) NTRK1JAK2AURKAABL1FGR
SCHEMBL3774696 0.88 NTRK1 (0.72) NTRK1JAK2ABL1FGRFGFR1
SCHEMBL3705688 0.86 NTRK1 (0.59) NTRK1JAK2AURKAAURKBABL1
SCHEMBL3702483 0.84 NTRK1 (0.58) NTRK1JAK2AURKAAURKBABL1
SCHEMBL4696821 0.83 NTRK1 (0.81) NTRK1JAK2
SCHEMBL27689887 0.83 NTRK1 (0.81) NTRK1JAK2
SCHEMBL4696858 0.83 NTRK1 (0.81) NTRK1JAK2
SCHEMBL4696616 0.80 AURKA (0.47) NTRK1JAK2AURKAAURKBABL1
SCHEMBL56315 0.77 NTRK1 (0.59) NTRK1JAK2AURKAAURKBABL1

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
CN-101119988-A Chemical compound ASTRAZENECA AB (SE) 2008-02-06 CN claimed
CN-101119988-A Chemical compound ASTRAZENECA AB (SE) 2008-02-06 CN disclosed