SCHEMBL4075884

SCHEMBL4075884

O=c1ccc2cncn(Nc3ccc(N4CCOCC4)cc3)c-2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
AURKA O14965 5/20 0.41
TP53 P04637 2/20 0.41
MAPK1 P28482 2/20 0.41
SYK P43405 1/20 0.40
JAK2 O60674 3/20 0.39
JAK3 P52333 2/20 0.39
PTK2 Q05397 1/20 0.39
AURKC Q9UQB9 1/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
ABL1 P00519 1/20 0.39

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
SCHEMBL4075886 0.67 SYK (0.46) MAPTAURKATP53MAPK1SYK
SCHEMBL11992447 0.62 TGFBR1 (0.51) MAPTKDM4EGAATP53MAPK1
SCHEMBL7066138 0.62 LMNA (0.56) MAPTKDM4EGAATP53MAPK1
SCHEMBL7980595 0.62 MAPT (0.62) MAPTKDM4EGAATP53MAPK1
SCHEMBL5892127 0.61 XDH (0.49) MAPTKDM4EGAASYKRAB9A
SCHEMBL9093746 0.61 LMNA (0.71) MAPTKDM4ETP53MAPK1RAB9A
SCHEMBL1853814 0.60 MAPT (0.67) MAPTGAATP53MAPK1RAB9A
SCHEMBL30854958 0.60 MAPT (0.65) MAPTKDM4ETP53MAPK1SYK
SCHEMBL4417817 0.59 MAPT (0.67) MAPTKDM4EAURKATP53MAPK1
SCHEMBL3378512 0.59 MAPT (0.52) MAPTKDM4ERAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2084159-A1 PYRIDO Ý2, 3-D¨PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS GPC Biotech Inc. (US) 2009-08-05 EP disclosed
WO-2008047307-A1 PYRIDO [2, 3-D] PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS GPC BIOTECH INC. (US) 2008-04-24 WO disclosed