SCHEMBL3243135

SCHEMBL3243135

CC(Oc1nc(-c2ccc(C(=O)N3CCNCC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 1/20 0.62
MET P08581 11/20 0.59
JAK2 O60674 2/20 0.53
KCNH2 Q12809 1/20 0.52
ALK Q9UM73 4/20 0.51
CHEK2 O96017 1/20 0.49
ATR Q13535 1/20 0.49
MAP4K2 Q12851 1/20 0.49
MAP3K1 Q13233 1/20 0.49
AAK1 Q2M2I8 1/20 0.49
Q6ZSR9 Q6ZSR9 1/20 0.49
MAP4K5 Q9Y4K4 1/20 0.49

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
SCHEMBL1900138 1.00 MAP4K3 (0.62) MAP4K3METJAK2KCNH2ALK
SCHEMBL489251 0.91 MET (0.64) MAP4K3METKCNH2ALKATR
SCHEMBL30454392 0.91 MET (0.64) MAP4K3METKCNH2ALKATR
SCHEMBL13276216 0.90 MET (0.56) MAP4K3METJAK2CHEK2MAP4K2
SCHEMBL488862 0.89 MET (0.74) MAP4K3METJAK2ALKCHEK2
SCHEMBL30454746 0.89 MET (0.74) MAP4K3METJAK2ALKCHEK2
SCHEMBL3235697 0.88 MET (0.54) MAP4K3METKCNH2CHEK2ATR
SCHEMBL488829 0.88 MET (0.61) MAP4K3METCHEK2MAP4K2MAP3K1
SCHEMBL30454879 0.88 MET (0.61) MAP4K3METCHEK2MAP4K2MAP3K1
SCHEMBL3121347 0.88 MET (0.54) MAP4K3METKCNH2CHEK2ATR

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 3 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
EP-2143441-A1 Combination of a c-Met antagonist and an aminoheteroaryl compound for the treatment of cancer Pierre Fabre Medicament (FR) 2010-01-13 EP disclosed