SCHEMBL4620617

SCHEMBL4620617

Nc1ncc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1-c1ccc(O)cc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ USP7 Q93009 5/20 0.69
▸ MAP4K4 O95819 3/20 0.59
▸ FYN P06241 9/20 0.57
▸ CHEK2 O96017 1/20 0.56
▸ MINK1 Q8N4C8 2/20 0.54
▸ TNIK Q9UKE5 1/20 0.54
▸ TGFBR1 P36897 1/20 0.50
▸ VRK1 Q99986 1/20 0.50
▸ KCNH2 Q12809 4/20 0.49
▸ PIK3CA P42336 1/20 0.49
▸ PI4KB Q9UBF8 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
SCHEMBL4621735 0.81 KCNH2 (0.59) MAP4K4FYNCHEK2MINK1TGFBR1
SCHEMBL4824826 0.76 KIF11 (0.71) KCNH2
SCHEMBL4620369 0.75 USP7 (0.73) USP7MAP4K4FYNCHEK2MINK1
SCHEMBL2227983 0.74 MAP4K4 (0.66) USP7MAP4K4FYNCHEK2MINK1
SCHEMBL4623629 0.74 FYN (0.72) USP7MAP4K4FYNCHEK2MINK1
SCHEMBL2224558 0.73 MAP4K4 (0.57) USP7MAP4K4MINK1KCNH2PIK3CA
SCHEMBL18613241 0.72 FYN (1.00) USP7MAP4K4FYNCHEK2
SCHEMBL18613514 0.72 FYN (1.00) USP7FYNCHEK2TGFBR1
SCHEMBL18066814 0.72 USP7 (1.00) USP7
SCHEMBL2228665 0.72 USP7 (0.71) USP7MAP4K4FYNCHEK2MINK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1900727-A1 Aminopyridine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 — — EP claimed
WO-2008025820-A1 AMINOPYRIDINE DERIVATES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 — — WO claimed
EP-1900727-A1 Aminopyridine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 — — EP disclosed
WO-2008025820-A1 AMINOPYRIDINE DERIVATES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 — — WO disclosed
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