SCHEMBL3263756

SCHEMBL3263756

CC(C)Oc1cc(Nc2ncc3ncn([C@@H](C)c4ccc(F)cc4)c3n2)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 15/20 0.41
JAK2 O60674 2/20 0.38
ABL1 P00519 1/20 0.38
FGR P09769 1/20 0.38
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38
PHKG2 P15735 1/20 0.38
FLT4 P35916 1/20 0.38
FLT3 P36888 1/20 0.38
SIK1 P57059 1/20 0.38
MAP3K9 P80192 1/20 0.38
PTK2 Q05397 1/20 0.38
BTK Q06187 1/20 0.38
ITK Q08881 1/20 0.38
MAPK14 Q16539 1/20 0.38
TSSK2 Q96PF2 1/20 0.38
WNK3 Q9BYP7 1/20 0.38
ALK Q9UM73 1/20 0.38
AURKA O14965 1/20 0.35
AURKB Q96GD4 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
SCHEMBL28766462 1.00 NTRK1 (0.41) NTRK1JAK2ABL1FGRFGFR1
SCHEMBL3136094 0.87 NTRK1 (0.45) NTRK1JAK2ABL1FGRFGFR1
SCHEMBL3136074 0.87 NTRK1 (0.45) NTRK1JAK2ABL1FGRFGFR1
SCHEMBL3123733 0.85 KCNH2 (0.42) NTRK1JAK2ABL1FGRFGFR1
SCHEMBL3123723 0.85 KCNH2 (0.42) NTRK1JAK2ABL1FGRFGFR1
SCHEMBL3133512 0.84 NUAK1 (0.47) NTRK1JAK2ABL1FGRFGFR1
SCHEMBL3129678 0.84 NUAK1 (0.47) NTRK1JAK2ABL1FGRFGFR1
SCHEMBL3137395 0.83 NTRK1 (0.56) NTRK1JAK2JAK3
SCHEMBL27711294 0.83 NTRK1 (0.56) NTRK1JAK2JAK3
SCHEMBL3021633 0.76 KCNH2 (0.52) NTRK1JAK2ABL1FGRFGFR1

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
EP-1853602-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-07-14 EP disclosed
CN-101119996-A chemical compound ASTRAZENECA AB (SE) 2008-02-06 CN disclosed