SCHEMBL4696570

SCHEMBL4696570

C[C@H](Nc1ccc2ncn(-c3cc(C4CC4)[nH]n3)c2n1)c1ccccn1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 16/20 0.75
JAK2 O60674 2/20 0.55
ALK Q9UM73 3/20 0.45
ABL1 P00519 1/20 0.45
FGR P09769 1/20 0.45
FGFR1 P11362 1/20 0.45
SRC P12931 1/20 0.45
PHKG2 P15735 1/20 0.45
FLT4 P35916 1/20 0.45
FLT3 P36888 1/20 0.45
SIK1 P57059 1/20 0.45
MAP3K9 P80192 1/20 0.45
PTK2 Q05397 1/20 0.45
BTK Q06187 1/20 0.45
ITK Q08881 1/20 0.45
MAPK14 Q16539 1/20 0.45
TSSK2 Q96PF2 1/20 0.45
WNK3 Q9BYP7 1/20 0.45
MAPK1 P28482 1/20 0.39
PAK1 Q13153 2/20 0.38

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
SCHEMBL3766966 0.86 NTRK1 (1.00) NTRK1JAK2ALKABL1FGR
SCHEMBL4750903 0.83 NTRK1 (0.79) NTRK1JAK2ALKABL1FGR
SCHEMBL56800 0.83 NTRK1 (0.79) NTRK1JAK2ALKABL1FGR
SCHEMBL57147 0.83 NTRK1 (0.56) NTRK1JAK2ALKABL1FGR
SCHEMBL4699080 0.83 NTRK1 (0.52) NTRK1JAK2MAPK1
SCHEMBL3774702 0.82 NTRK1 (1.00) NTRK1JAK2ALKABL1FGR
SCHEMBL4697335 0.81 NTRK1 (0.63) NTRK1JAK2IGF1R
SCHEMBL4695287 0.80 NTRK1 (0.62) NTRK1JAK2IGF1R
SCHEMBL4694035 0.79 NTRK1 (0.54) NTRK1JAK2IGF1R
SCHEMBL4694696 0.75 NTRK1 (0.50) NTRK1JAK2PAK1PAK3PAK2

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