SCHEMBL16712875

SCHEMBL16712875

Nc1ncnc2c1c(-c1ccc(O)c(O)c1)nn2CCNc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.72
PRKDC P78527 16/20 0.55
PIK3CA P42336 16/20 0.55
PIK3CG P48736 16/20 0.55
PIK3CB P42338 15/20 0.55
EGFR P00533 11/20 0.55
SRC P12931 11/20 0.55
ABL1 P00519 10/20 0.55
HCK P08631 10/20 0.55
MTOR P42345 10/20 0.55
EPHB4 P54760 10/20 0.55
KDR P35968 9/20 0.55
PI4KB Q9UBF8 7/20 0.53
LCK P06239 1/20 0.51
JAK3 P52333 1/20 0.51
BTK Q06187 1/20 0.51
ITK Q08881 1/20 0.51

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
SCHEMBL16701439 0.84 PIK3CD (1.00) PIK3CDPRKDCPIK3CAPIK3CGPIK3CB
SCHEMBL16701549 0.78 PIK3CD (0.75) PIK3CDPRKDCPIK3CAPIK3CGPIK3CB
SCHEMBL130637 0.78 PIK3CD (0.81) PIK3CDPRKDCPIK3CAPIK3CGPIK3CB
SCHEMBL23917452 0.77 PIK3CD (0.55) PIK3CDPRKDCPIK3CAPIK3CGPIK3CB
SCHEMBL16702256 0.76 EGFR (0.61) PIK3CDPRKDCPIK3CAPIK3CGPIK3CB
SCHEMBL16701525 0.75 PIK3CD (0.58) PIK3CDPRKDCPIK3CAPIK3CGPIK3CB
SCHEMBL16701652 0.74 EGFR (0.51) PIK3CDPRKDCPIK3CAPIK3CGPIK3CB
SCHEMBL16701979 0.74 EGFR (0.58) PIK3CDPRKDCPIK3CAPIK3CGPIK3CB
SCHEMBL16701967 0.74 PIK3CD (0.66) PIK3CDPRKDCPIK3CAPIK3CGPIK3CB
SCHEMBL22276020 0.73 PIK3CD (0.47) PIK3CDPRKDCPIK3CAPIK3CGPIK3CB

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-2015069441-A1 PYRAZOLO-, IMIDAZOLO- AND PYRROLO-PYRIDINE OR -PYRIMIDINE DERIVATIVES AS INHIBITORS O BRUTONS KINASE (BTK) MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-14 WO disclosed