SCHEMBL4694197

SCHEMBL4694197

CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccccn3)ccc2N)n[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.38
JAK3 P52333 8/20 0.38
NTRK1 P04629 5/20 0.36
FLT3 P36888 3/20 0.36
FGFR1 P11362 2/20 0.36
PTK2 Q05397 2/20 0.36
BTK Q06187 2/20 0.36
ALK Q9UM73 2/20 0.36
ABL1 P00519 1/20 0.36
FGR P09769 1/20 0.36
SRC P12931 1/20 0.36
PHKG2 P15735 1/20 0.36
FLT4 P35916 1/20 0.36
SIK1 P57059 1/20 0.36
MAP3K9 P80192 1/20 0.36
ITK Q08881 1/20 0.36
MAPK14 Q16539 1/20 0.36
TSSK2 Q96PF2 1/20 0.36
WNK3 Q9BYP7 1/20 0.36
MAPK1 P28482 3/20 0.35

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
SCHEMBL4694125 0.84 NTRK1 (0.48) JAK2JAK3NTRK1FLT3FGFR1
SCHEMBL4694696 0.82 NTRK1 (0.50) JAK2JAK3NTRK1IGF1R
SCHEMBL4696082 0.80 NTRK1 (0.49) JAK2JAK3NTRK1AURKAGRK6
SCHEMBL29794832 0.74 JAK2 (0.58) JAK2JAK3NTRK1FLT3FGFR1
SCHEMBL57147 0.74 NTRK1 (0.56) JAK2JAK3NTRK1FLT3FGFR1
SCHEMBL4696885 0.72 NTRK1 (0.43) JAK2JAK3NTRK1AURKACDK2
SCHEMBL4696871 0.72 NTRK1 (0.43) JAK2JAK3NTRK1AURKACDK2
SCHEMBL16489588 0.72 TLR7 (0.43) TLR7EGFRADORA2BGRM5
SCHEMBL16489587 0.72 TLR7 (0.43) TLR7EGFRADORA2BGRM5
SCHEMBL10027491 0.70 JAK3 (0.58) JAK2JAK3NTRK1FLT3FGFR1

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