SCHEMBL3235697

SCHEMBL3235697

CC(Oc1nc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 0.54
MAP4K3 Q8IVH8 1/20 0.53
ATR Q13535 2/20 0.52
MAP4K2 Q12851 1/20 0.48
MAP3K1 Q13233 1/20 0.48
AAK1 Q2M2I8 1/20 0.48
Q6ZSR9 Q6ZSR9 1/20 0.48
MAP4K5 Q9Y4K4 1/20 0.48
KCNH2 Q12809 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CHEK2 O96017 1/20 0.43

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
SCHEMBL3121347 1.00 MET (0.54) METMAP4K3ATRMAP4K2MAP3K1
SCHEMBL3109427 0.91 MET (0.52) METMAP4K3ATRMAP4K2MAP3K1
SCHEMBL30454392 0.90 MET (0.64) METMAP4K3ATRMAP4K2MAP3K1
SCHEMBL489251 0.90 MET (0.64) METMAP4K3ATRMAP4K2MAP3K1
SCHEMBL13276216 0.88 MET (0.56) METMAP4K3MAP4K2MAP3K1AAK1
SCHEMBL1900138 0.88 MAP4K3 (0.62) METMAP4K3ATRMAP4K2MAP3K1
SCHEMBL3243135 0.88 MAP4K3 (0.62) METMAP4K3ATRMAP4K2MAP3K1
SCHEMBL3117593 0.85 MET (0.72) METMAP4K2MAP3K1AAK1Q6ZSR9
SCHEMBL1905237 0.85 MET (0.72) METMAP4K2MAP3K1AAK1Q6ZSR9
SCHEMBL488689 0.85 MET (0.57) METMAP4K3ATRMAP4K2MAP3K1

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-1786785-B9 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER (US) 2013-05-22 EP disclosed
EP-1786785-B1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER (US) 2010-04-07 EP disclosed