SCHEMBL16390919

SCHEMBL16390919

CN1CCN(c2cc3nc(-c4cc(-c5cnn(C6CC=NCC6)c5)cnc4N)[nH]c3cc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 10/20 0.44
▸ EGFR P00533 1/20 0.42
▸ NTRK1 P04629 1/20 0.39
▸ GRK2 P25098 9/20 0.38
▸ GRK5 P34947 9/20 0.38
▸ FGFR1 P11362 3/20 0.38
▸ FGFR2 P21802 3/20 0.38
▸ FGFR3 P22607 3/20 0.38
▸ ALK Q9UM73 1/20 0.38
▸ KDR P35968 1/20 0.37
▸ FLT3 P36888 2/20 0.37
▸ KCNH2 Q12809 2/20 0.36

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
SCHEMBL2680988 0.88 MET (0.51) METNTRK1GRK2GRK5ALK
SCHEMBL2681137 0.79 GRK5 (0.57) METGRK2GRK5ALKFLT3
SCHEMBL2682349 0.75 MET (0.59) METNTRK1GRK2GRK5ALK
SCHEMBL18472791 0.74 MET (0.57) METNTRK1GRK2GRK5FGFR1
SCHEMBL18427715 0.73 MET (0.54) METGRK2GRK5FGFR1FGFR2
SCHEMBL4096428 0.73 EGFR (0.71) METEGFRNTRK1FGFR1FGFR2
SCHEMBL2681319 0.71 FGFR1 (0.57) METEGFRGRK2GRK5FGFR1
SCHEMBL2680623 0.71 FYN (0.48) METFGFR1KDR
SCHEMBL2681889 0.70 MET (0.53) METGRK2GRK5FGFR1FGFR2
SCHEMBL2682031 0.69 GRK5 (0.60) METNTRK1GRK2GRK5ALK

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-2454253-B1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2015-01-21 — — EP disclosed
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