SCHEMBL30165729

SCHEMBL30165729

Cc1cc(-n2ccc3ccc(N[C@@H](C)c4ccc(F)cn4)nc32)n[nH]1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 17/20 0.75
JAK2 O60674 4/20 0.75
ALK Q9UM73 10/20 0.71
JAK3 P52333 2/20 0.57
ABL1 P00519 1/20 0.51
FGR P09769 1/20 0.51
FGFR1 P11362 1/20 0.51
SRC P12931 1/20 0.51
PHKG2 P15735 1/20 0.51
FLT4 P35916 1/20 0.51
FLT3 P36888 1/20 0.51
SIK1 P57059 1/20 0.51
MAP3K9 P80192 1/20 0.51
PTK2 Q05397 1/20 0.51
BTK Q06187 1/20 0.51
ITK Q08881 1/20 0.51
MAPK14 Q16539 1/20 0.51
TSSK2 Q96PF2 1/20 0.51
WNK3 Q9BYP7 1/20 0.51

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
SCHEMBL3775158 0.85 NTRK1 (1.00) NTRK1JAK2ALKABL1FGR
SCHEMBL25567185 0.79 NTRK1 (0.81) NTRK1JAK2ALKJAK3PTK2
SCHEMBL25566031 0.78 NTRK1 (1.00) NTRK1JAK2ALKJAK3PTK2
SCHEMBL25567160 0.77 NTRK1 (0.88) NTRK1JAK2ALKJAK3PTK2
SCHEMBL3772190 0.76 NTRK1 (1.00) NTRK1JAK2ALKJAK3ABL1
SCHEMBL25565953 0.75 NTRK1 (1.00) NTRK1JAK2ALKJAK3PTK2
SCHEMBL3766966 0.74 NTRK1 (1.00) NTRK1JAK2ALKJAK3ABL1
SCHEMBL25567115 0.74 NTRK1 (0.85) NTRK1JAK2ALKPTK2
SCHEMBL25575340 0.74 NTRK1 (0.81) NTRK1JAK2ALKPTK2
SCHEMBL3773405 0.73 NTRK1 (1.00) NTRK1JAK2ALKJAK3ABL1

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-4110340-A1 POTENT AND SELECTIVE DEGRADERS OF ALK Dana-Farber Cancer Institute, Inc. (US) 2023-01-04 EP claimed
EP-4110340-A1 POTENT AND SELECTIVE DEGRADERS OF ALK Dana-Farber Cancer Institute, Inc. (US) 2023-01-04 EP disclosed