SCHEMBL8344591

SCHEMBL8344591

Cc1ccc(-n2ncc3c(NN)ncnc32)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.74
MAPT P10636 6/20 0.74
ALDH1A1 P00352 3/20 0.74
KDM4E B2RXH2 3/20 0.74
GAA P10253 2/20 0.74
HTT P42858 1/20 0.74
XDH P47989 1/20 0.68
TP53 P04637 10/20 0.67
ALPL P05186 1/20 0.65
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
HSD17B10 Q99714 1/20 0.64
POLB P06746 1/20 0.61
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
L3MBTL1 Q9Y468 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
SCHEMBL6364028 0.85 KDM4E (1.00) LMNAMAPTALDH1A1KDM4EGAA
SCHEMBL6206370 0.85 KDM4E (0.73) LMNAMAPTALDH1A1KDM4EGAA
Hydrochloric Acid SCHEMBL6363785 0.84 KDM4E (0.97) LMNAMAPTALDH1A1KDM4EGAA
SCHEMBL6071213 0.84 KDM4E (0.76) LMNAMAPTALDH1A1KDM4EGAA
SCHEMBL6204720 0.84 KDM4E (0.74) LMNAMAPTALDH1A1KDM4EGAA
SCHEMBL15214873 0.83 TP53 (0.79) LMNAMAPTALDH1A1KDM4EHTT
SCHEMBL6071449 0.78 KDM4E (0.75) LMNAMAPTALDH1A1KDM4EGAA
SCHEMBL8344398 0.78 LMNA (0.67) LMNAMAPTALDH1A1KDM4EGAA
SCHEMBL6269930 0.78 XDH (0.68) LMNAMAPTALDH1A1KDM4EXDH
SCHEMBL6203816 0.77 MAPT (0.68) LMNAMAPTALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed