SCHEMBL13423976

SCHEMBL13423976

CN(C)CCOc1cc(F)c(N2NNN=C2c2cc(-c3cnn(C4CCCC4)c3)cnc2N)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 9/20 0.40
GRK5 P34947 4/20 0.40
GRK2 P25098 2/20 0.40
ALK Q9UM73 1/20 0.40
JAK2 O60674 2/20 0.39
MET P08581 3/20 0.39
FGFR1 P11362 2/20 0.38
FGFR2 P21802 2/20 0.38
FGFR3 P22607 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
SCHEMBL10100620 0.81 FGFR1 (0.40) MAP4K3GRK5GRK2ALKJAK2
SCHEMBL10100605 0.75 MET (0.43) GRK5GRK2JAK2METFGFR1
SCHEMBL12810998 0.72 JAK2 (0.52) MAP4K3GRK5GRK2ALKJAK2
SCHEMBL13593394 0.69 MET (0.52) MET
SCHEMBL14399145 0.69 MET (0.43) MAP4K3GRK5GRK2ALKMET
SCHEMBL10100602 0.68 LRRK2 (0.41) METFGFR1FGFR2FGFR3
SCHEMBL13593414 0.68 JAK2 (0.46) MAP4K3GRK5GRK2ALKJAK2
SCHEMBL13593367 0.67 NEK2 (0.39)
SCHEMBL13593432 0.67 MET (0.57) MAP4K3GRK5GRK2ALKJAK2
SCHEMBL10100785 0.66 LRRK2 (0.40) METFGFR1FGFR2FGFR3

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
WO-2010048131-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 WO disclosed