SCHEMBL4361291

SCHEMBL4361291

Oc1ncnc2nc(-c3ccccc3)c(-c3ccccc3)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.53
ADK P55263 1/20 0.51
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 3/20 0.49
HTT P42858 2/20 0.49
GAA P10253 2/20 0.49
HPGD P15428 2/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
DHFR P00374 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 4/20 0.44
POLB P06746 1/20 0.44
ADORA2A P29274 1/20 0.38

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
SCHEMBL14983476 0.86 PIK3CG (0.71) PIK3CGADKALDH1A1KDM4EHTT
SCHEMBL1351376 0.82 AKT1 (0.51)
SCHEMBL14983464 0.81 PIK3CG (0.65) PIK3CGADKALDH1A1KDM4EHTT
Hydrochloric Acid SCHEMBL1351917 0.81 AKT1 (0.50)
Hydrochloric Acid SCHEMBL1351112 0.81 AKT1 (0.50)
SCHEMBL14983475 0.79 PIK3CG (0.50) PIK3CGADKALDH1A1KDM4EHPGD
SCHEMBL3742316 0.79 ADK (0.76) PIK3CGADKALDH1A1KDM4EHTT
SCHEMBL17089216 0.78 PIK3CG (0.55) PIK3CGALDH1A1KDM4ETSHRHSD17B10
SCHEMBL3533590 0.76 PIK3CG (0.50) PIK3CGADKALDH1A1KDM4EHTT
SCHEMBL3252241 0.76 PIK3CG (0.48) PIK3CGADKNOS1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2039683-B1 Vasculostatic agents and methods of use thereof TARGEGEN INC (US) 2012-12-19 EP disclosed
EP-2039683-A2 Vasculostatic agents and methods of use thereof Targegen, Inc. (US) 2009-03-25 EP disclosed