SCHEMBL4619233

SCHEMBL4619233

CN1CCN(C(=O)c2cccc(-c3cnc(N)c(-c4ccc(O)cc4)c3)c2)CC1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.74
KCNH2 Q12809 4/20 0.63
USP7 Q93009 3/20 0.55
ADORA2A P29274 1/20 0.53
ATR Q13535 1/20 0.53
MAP4K4 O95819 1/20 0.53
LRRK2 Q5S007 1/20 0.52
KDM4E B2RXH2 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HPGD P15428 1/20 0.51
PIK3CD O00329 1/20 0.51
PIK3CA P42336 1/20 0.51
MTOR P42345 1/20 0.51
MAP3K11 Q16584 1/20 0.50
AXL P30530 1/20 0.49
MERTK Q12866 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
SCHEMBL1679753 0.86 FYN (0.68) FYNKCNH2
SCHEMBL20485814 0.85 FYN (1.00) FYNKCNH2ATRLRRK2
SCHEMBL30521848 0.85 FYN (1.00) FYNKCNH2ATRLRRK2
SCHEMBL1678990 0.82 FYN (0.69) FYNKCNH2ADORA2AATRLRRK2
SCHEMBL18617157 0.82 FYN (0.66) FYNKCNH2ADORA2AATRMAP4K4
SCHEMBL25619799 0.81 FYN (0.72) FYNUSP7MAP4K4
SCHEMBL4620367 0.80 FYN (0.76) FYNUSP7MAP4K4
SCHEMBL2749343 0.79 FYN (0.62) FYNKCNH2ADORA2AATRLRRK2
SCHEMBL2386280 0.78 FYN (0.60) FYNKCNH2ADORA2AATRLRRK2
SCHEMBL2384703 0.78 FYN (0.60) FYNKCNH2ADORA2AATRLRRK2

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