SCHEMBL4621168

SCHEMBL4621168

CN(C)CCCOc1ccc(-c2cnc(N)c(-c3ccc(O)cc3)c2)cn1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.77
FYN P06241 11/20 0.70
USP7 Q93009 3/20 0.57
MAP4K4 O95819 1/20 0.49
MINK1 Q8N4C8 1/20 0.49
TNIK Q9UKE5 1/20 0.49
TGFBR1 P36897 1/20 0.48
KCNH2 Q12809 1/20 0.47
ATR Q13535 1/20 0.46
ATM Q13315 2/20 0.45

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
SCHEMBL4620240 0.87 CHEK2 (1.00) CHEK2FYNMAP4K4
SCHEMBL4622183 0.85 FYN (0.78) CHEK2FYNTGFBR1
SCHEMBL18613684 0.82 FYN (1.00) CHEK2FYNTGFBR1
SCHEMBL18613239 0.82 FYN (1.00) CHEK2FYNTGFBR1ATRATM
SCHEMBL30521926 0.82 FYN (1.00) CHEK2FYNTGFBR1ATRATM
SCHEMBL2749503 0.76 FYN (0.60) CHEK2FYNTGFBR1ATRATM
SCHEMBL2386262 0.76 FYN (0.60) CHEK2FYNKCNH2ATRATM
SCHEMBL2226033 0.72 FYN (0.76) CHEK2FYNUSP7MAP4K4TGFBR1
SCHEMBL4898544 0.71 FYN (0.49) CHEK2FYNATRATM
SCHEMBL12834048 0.71 ATM (0.53) CHEK2FYNATM

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