SCHEMBL7239012

SCHEMBL7239012

COc1ccc(CNc2nc(NN)nc(NCc3ccc(OC)cc3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
APP P05067 2/20 0.57
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
MAPT P10636 3/20 0.51
TP53 P04637 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.49
VNN1 O95497 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
EGFR P00533 1/20 0.49
KDR P35968 1/20 0.49
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 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
SCHEMBL13325954 0.84 APP (0.67) GAAL3MBTL1APPMAPTTP53
SCHEMBL5888965 0.83 PIK3CA (0.62) APPMAPTTP53NPC1CLK4
SCHEMBL7174915 0.81 CLK4 (0.50) GAAL3MBTL1MEN1KMT2AAPP
SCHEMBL28736433 0.81 APP (0.56) L3MBTL1APPCA1CA2CA9
SCHEMBL7169717 0.81 CLK4 (0.65) MEN1KMT2AMAPTTP53NPC1
SCHEMBL3287040 0.80 KCNH3 (0.60) GAAL3MBTL1MEN1KMT2AAPP
SCHEMBL2801822 0.79 PIK3CA (0.66) APPCA1CA2CA9MAPT
SCHEMBL31484098 0.79 MAPT (0.60) GAAL3MBTL1MEN1KMT2AAPP
SCHEMBL2256958 0.79 APP (0.73) KMT2AAPPMAPTTP53ALDH1A1
SCHEMBL7169729 0.78 MAPT (0.54) L3MBTL1APPMAPTTP53NPC1

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
US-6552018-B1 As antitumor agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-22 US disclosed
US-6169086-B1 AN ANTITUMOR AGENT FOR TREATING TUMOR RESISTANT TO 5-FLUOROURACIL TYPE DRUGS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
EP-1022270-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-07-26 EP disclosed