SCHEMBL4622183

SCHEMBL4622183

COc1cc(-c2cc(-c3ccc(OCCCN(C)C)nc3)cnc2N)ccc1O

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FYN P06241 16/20 0.78
CHEK2 O96017 4/20 0.66
TGFBR1 P36897 1/20 0.58
CHEK1 O14757 1/20 0.54

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
SCHEMBL18613684 0.88 FYN (1.00) FYNCHEK2TGFBR1
SCHEMBL4621168 0.85 CHEK2 (0.77) FYNCHEK2TGFBR1
SCHEMBL2226987 0.85 FYN (0.75) FYNCHEK2TGFBR1CHEK1
SCHEMBL4620240 0.79 CHEK2 (1.00) FYNCHEK2CHEK1
SCHEMBL18613239 0.79 FYN (1.00) FYNCHEK2TGFBR1
SCHEMBL30521926 0.79 FYN (1.00) FYNCHEK2TGFBR1
SCHEMBL18613689 0.77 FYN (1.00) FYNCHEK2TGFBR1CHEK1
SCHEMBL12518226 0.77 FYN (1.00) FYNCHEK2TGFBR1CHEK1
SCHEMBL30521680 0.77 FYN (1.00) FYNCHEK2TGFBR1
SCHEMBL18613248 0.77 FYN (1.00) FYNCHEK2TGFBR1CHEK1

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