SCHEMBL16118181

SCHEMBL16118181

CC(Oc1cc(-c2cnn(C3CCN(C(=O)CN(C)C(=O)OC(C)(C)C)CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 15/20 0.66
▸ ALK Q9UM73 6/20 0.66
▸ MAP4K3 Q8IVH8 6/20 0.66
▸ JAK2 O60674 5/20 0.66
▸ JAK3 P52333 3/20 0.66
▸ PLK4 O00444 2/20 0.66
▸ AURKA O14965 2/20 0.66
▸ DCLK1 O15075 2/20 0.66
▸ PRKD3 O94806 2/20 0.66
▸ ABL1 P00519 2/20 0.66
▸ NTRK1 P04629 2/20 0.66
▸ INSR P06213 2/20 0.66
▸ LCK P06239 2/20 0.66
▸ FES P07332 2/20 0.66
▸ CSF1R P07333 2/20 0.66
▸ LYN P07948 2/20 0.66
▸ RET P07949 2/20 0.66
▸ IGF1R P08069 2/20 0.66
▸ ROS1 P08922 2/20 0.66
▸ SRC P12931 2/20 0.66

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
SCHEMBL1581859 0.91 MET (0.71) METALKMAP4K3JAK2JAK3
SCHEMBL1902039 0.89 MET (0.73) METALKMAP4K3JAK2JAK3
SCHEMBL1581558 0.89 MET (0.73) METALKMAP4K3JAK2JAK3
SCHEMBL16245273 0.89 MET (0.73) METALKMAP4K3JAK2JAK3
SCHEMBL30753163 0.89 MET (0.73) METALKMAP4K3JAK2JAK3
SCHEMBL3390547 0.88 MET (0.68) METALKMAP4K3JAK2JAK3
SCHEMBL1581764 0.87 MET (0.75) METALKMAP4K3JAK2JAK3
SCHEMBL1582503 0.87 MET (0.75) METALKMAP4K3JAK2JAK3
SCHEMBL3422594 0.87 MET (0.75) METALKMAP4K3JAK2JAK3
SCHEMBL3388109 0.86 MET (0.71) METALKMAP4K3JAK2JAK3

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-2014146486-A1 THREE-LEVEL CYCLIC AMINE ALK KINASE INHIBITOR FOR TREATING CANCER 浙江导明医药科技有限公司 (CN) 2014-09-25 — — WO disclosed
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