SCHEMBL470418

SCHEMBL470418

C[C@@H]1CN(Cc2nnc(-c3cc(-c4cccc5[nH]ccc45)cc4c3cnn4C)o2)CCO1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.41
PIK3CD O00329 4/20 0.40
PIK3CA P42336 4/20 0.40
PIK3CB P42338 4/20 0.40
ATR Q13535 11/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
CNR2 P34972 2/20 0.35
CHRNA7 P36544 1/20 0.34
KCNH2 Q12809 1/20 0.34
CNR1 P21554 1/20 0.34
BRAF P15056 1/20 0.34

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
SCHEMBL713914 0.91 PIK3CG (0.41) PIK3CGPIK3CDPIK3CAPIK3CBATR
SCHEMBL470232 0.86 PIK3CD (0.56) PIK3CGPIK3CDPIK3CAPIK3CBATR
SCHEMBL714352 0.84 PIK3CG (0.58) PIK3CGPIK3CDPIK3CAPIK3CBATR
SCHEMBL715583 0.76 PIK3CD (0.57) PIK3CGPIK3CDPIK3CAPIK3CBATR
SCHEMBL715596 0.76 PIK3CD (0.56) PIK3CGPIK3CDPIK3CAPIK3CBATR
SCHEMBL713527 0.75 PIK3CG (0.51) PIK3CGPIK3CDPIK3CAPIK3CBTP53
SCHEMBL714369 0.74 PIK3CG (0.46) PIK3CGPIK3CDPIK3CAPIK3CBATR
SCHEMBL19221910 0.74 PIK3CD (0.72) PIK3CGPIK3CDPIK3CAPIK3CBCNR2
SCHEMBL715410 0.74 PIK3CG (0.69) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL715105 0.73 PIK3CG (0.71) PIK3CGPIK3CDPIK3CAPIK3CBATR

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-2012032065-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2012-03-15 WO disclosed