SCHEMBL6205500

SCHEMBL6205500

COc1ccc(-n2ncc3c(O)ncnc32)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.71
RAB9A P51151 11/20 0.63
NPC1 O15118 10/20 0.63
KDM4E B2RXH2 10/20 0.63
TP53 P04637 9/20 0.63
SMN1; SMN2 Q16637 9/20 0.63
MAPT P10636 9/20 0.63
HPGD P15428 7/20 0.63
HSD17B10 Q99714 6/20 0.63
LMNA P02545 3/20 0.63
ALDH1A1 P00352 8/20 0.62
MITF O75030 1/20 0.62
PKM P14618 1/20 0.62
HTT P42858 1/20 0.62
KLF5 Q13887 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
MAPK1 P28482 1/20 0.60
TDP1 Q9NUW8 1/20 0.60

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
SCHEMBL6206486 0.85 GSK3B (0.60) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL2499455 0.83 XDH (0.71) XDHRAB9ANPC1KDM4ETP53
SCHEMBL31337054 0.80 ALDH1A1 (0.67) XDHRAB9ANPC1KDM4ETP53
SCHEMBL6282033 0.80 ALDH1A1 (0.67) XDHRAB9ANPC1KDM4ETP53
SCHEMBL13087861 0.80 SMN1; SMN2 (0.55) XDHRAB9ANPC1KDM4ETP53
SCHEMBL6206370 0.80 KDM4E (0.73) XDHRAB9ANPC1KDM4ETP53
SCHEMBL1353900 0.79 SMN1; SMN2 (0.54) XDHRAB9ANPC1KDM4ETP53
SCHEMBL1245386 0.78 GPR119 (0.52) XDHLMNAALDH1A1
SCHEMBL1355636 0.76 SMN1; SMN2 (0.51) XDHRAB9ANPC1KDM4ETP53
SCHEMBL10016528 0.76 RAB9A (1.00) RAB9ANPC1KDM4ETP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551841-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SmithKline Beecham Corporation (US) 2005-07-13 EP disclosed
WO-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed
WO-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed