SCHEMBL14301331

SCHEMBL14301331

CCOCCn1c(=O)c(Br)cc2c(C)nc(N)nc21

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.61
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MTOR P42345 2/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43

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
SCHEMBL14301330 0.93 PIK3CA (0.58) PIK3CAKDM4EALDH1A1GLAGAA
SCHEMBL1897045 0.83 PIK3CA (0.70) PIK3CAKDM4EALDH1A1GLAGAA
SCHEMBL189075 0.83 ALDH1A1 (0.73) PIK3CAKDM4EALDH1A1GLAGAA
SCHEMBL14301329 0.81 PIK3CA (0.57) PIK3CAKDM4EALDH1A1GLAGAA
SCHEMBL188994 0.77 ALDH1A1 (0.70) PIK3CAKDM4EALDH1A1GLAGAA
SCHEMBL1987016 0.76 PIK3CA (1.00) PIK3CAKDM4EALDH1A1GLAGAA
SCHEMBL1896964 0.75 PIK3CA (0.62) PIK3CAKDM4EALDH1A1GLAGAA
SCHEMBL5116317 0.71 ALDH1A1 (0.46) PIK3CAKDM4EALDH1A1GLAGAA
SCHEMBL3330263 0.70 PIK3CA (1.00) PIK3CAKDM4EALDH1A1GLAGAA
SCHEMBL1897414 0.70 PIK3CA (0.58) PIK3CAMTOR

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-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO disclosed