SCHEMBL4621587

SCHEMBL4621587

COc1cncc(-c2cnc(N)c(-c3ccc(CO)cc3)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FYN P06241 12/20 0.67
CHEK2 O96017 5/20 0.54
MAP4K4 O95819 1/20 0.54
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
TGFBR1 P36897 1/20 0.48
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
USP7 Q93009 1/20 0.48

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
SCHEMBL30516647 0.85 CYP11B1 (0.60) FYNMAP4K4CYP11B1CYP11B2MKNK1
SCHEMBL25366032 0.85 CYP11B1 (0.60) FYNMAP4K4CYP11B1CYP11B2MKNK1
SCHEMBL2226963 0.82 FYN (0.70) FYNCHEK2MAP4K4TGFBR1USP7
SCHEMBL18613347 0.81 FYN (1.00) FYNCHEK2TGFBR1
SCHEMBL30521707 0.81 FYN (1.00) FYNCHEK2TGFBR1
SCHEMBL18613256 0.75 FYN (1.00) FYNCHEK2MAP4K4USP7
SCHEMBL9936469 0.73 CYP11B1 (0.57) MAP4K4CYP11B1CYP11B2MKNK1MKNK2
SCHEMBL22084643 0.73 MKNK1 (0.59) MAP4K4CYP11B1CYP11B2MKNK1MKNK2
SCHEMBL4620276 0.73 FYN (1.00) FYNCHEK2MAP4K4TGFBR1USP7
SCHEMBL30521818 0.73 FYN (1.00) FYNCHEK2MAP4K4TGFBR1USP7

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