SCHEMBL4693854

SCHEMBL4693854

OCC(CO)(Nc1ccc2ncn(-c3cc(C4CC4)[nH]n3)c2n1)c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 16/20 0.59
JAK2 O60674 2/20 0.42
NUAK1 O60285 1/20 0.41
KCNH2 Q12809 1/20 0.38
ABL1 P00519 1/20 0.35
FGR P09769 1/20 0.35
FGFR1 P11362 1/20 0.35
SRC P12931 1/20 0.35
PHKG2 P15735 1/20 0.35
FLT4 P35916 1/20 0.35
FLT3 P36888 1/20 0.35
SIK1 P57059 1/20 0.35
MAP3K9 P80192 1/20 0.35
PTK2 Q05397 1/20 0.35
BTK Q06187 1/20 0.35
ITK Q08881 1/20 0.35
MAPK14 Q16539 1/20 0.35
TSSK2 Q96PF2 1/20 0.35
WNK3 Q9BYP7 1/20 0.35
ALK Q9UM73 1/20 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
SCHEMBL4696455 0.82 NTRK1 (0.64) NTRK1JAK2NUAK1
SCHEMBL4697091 0.81 NTRK1 (0.65) NTRK1JAK2NUAK1KCNH2
SCHEMBL4750903 0.78 NTRK1 (0.79) NTRK1JAK2ABL1FGRFGFR1
SCHEMBL56800 0.78 NTRK1 (0.79) NTRK1JAK2ABL1FGRFGFR1
SCHEMBL4698219 0.75 NTRK1 (0.59) NTRK1JAK2NUAK1
SCHEMBL3132518 0.75 NUAK1 (0.51) NTRK1NUAK1
SCHEMBL3766966 0.74 NTRK1 (1.00) NTRK1JAK2KCNH2ABL1FGR
SCHEMBL4694146 0.74 NTRK1 (0.53) NTRK1FLT3
SCHEMBL2565611 0.74 NTRK1 (0.48) NTRK1NUAK1
SCHEMBL4694151 0.74 NTRK1 (0.55) NTRK1JAK2

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