SCHEMBL4696616

SCHEMBL4696616

CC(C)Oc1cc(-n2cnc3ccc(N[C@@H](C)c4ccc(F)cc4)cc32)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
LCK P06239 7/20 0.41
JAK2 O60674 3/20 0.40
JAK3 P52333 1/20 0.40
NTRK1 P04629 8/20 0.40
ABL1 P00519 1/20 0.40
FGR P09769 1/20 0.40
FGFR1 P11362 1/20 0.40
SRC P12931 1/20 0.40
PHKG2 P15735 1/20 0.40
FLT4 P35916 1/20 0.40
FLT3 P36888 1/20 0.40
SIK1 P57059 1/20 0.40
MAP3K9 P80192 1/20 0.40
PTK2 Q05397 1/20 0.40
BTK Q06187 1/20 0.40
ITK Q08881 1/20 0.40
MAPK14 Q16539 1/20 0.40
TSSK2 Q96PF2 1/20 0.40

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
SCHEMBL57014 0.83 NTRK1 (0.55) AURKAAURKBLCKJAK2JAK3
SCHEMBL3705688 0.83 NTRK1 (0.59) AURKAAURKBJAK2JAK3NTRK1
SCHEMBL27689864 0.80 NTRK1 (0.61) AURKAAURKBLCKJAK2JAK3
SCHEMBL3698238 0.80 NTRK1 (0.61) AURKAAURKBLCKJAK2JAK3
SCHEMBL3702483 0.79 NTRK1 (0.58) AURKAAURKBJAK2JAK3NTRK1
SCHEMBL4695227 0.74 CCNT1 (0.47) JAK2NTRK1ABL1FGFR1SRC
SCHEMBL56315 0.73 NTRK1 (0.59) AURKAAURKBJAK2NTRK1ABL1
SCHEMBL3777718 0.71 NTRK1 (0.77) JAK2NTRK1ABL1FGRFGFR1
Azd-7451 SCHEMBL3769178 0.70 NTRK1 (0.76) JAK2NTRK1ABL1FGRFGFR1
Azd-7451 SCHEMBL18797141 0.70 NTRK1 (0.76) JAK2NTRK1ABL1FGRFGFR1

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
EP-1853588-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-18 EP disclosed