SCHEMBL21082736

SCHEMBL21082736

CN1CCC(n2nc(-c3cc4cc(O)ccc4[nH]3)c3c(N)ncnc32)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.78
RET P07949 12/20 0.63
KDR P35968 8/20 0.63
PIK3CA P42336 3/20 0.63
PIK3CG P48736 3/20 0.63
LCK P06239 3/20 0.63
SRC P12931 3/20 0.63
CSK P41240 3/20 0.63
BTK Q06187 2/20 0.63
BMPR1B O00238 1/20 0.63
PLK4 O00444 1/20 0.63
PIK3C2B O00750 1/20 0.63
CASK O14936 1/20 0.63
GAK O14976 1/20 0.63
EPHB6 O15197 1/20 0.63
DAPK3 O43293 1/20 0.63
MAP3K7 O43318 1/20 0.63
RIPK2 O43353 1/20 0.63
PIP5K1C O60331 1/20 0.63
JAK2 O60674 1/20 0.63

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
SCHEMBL12422383 0.93 PIK3CD (0.73) PIK3CDRETKDRPIK3CAPIK3CG
SCHEMBL12022201 0.92 PIK3CD (0.87) PIK3CDRETKDRPIK3CAPIK3CG
SCHEMBL12422337 0.91 PIK3CD (0.84) PIK3CDRETKDRPIK3CAPIK3CG
SCHEMBL12422304 0.91 PIK3CD (0.84) PIK3CDRETKDRPIK3CAPIK3CG
SCHEMBL1551638 0.90 PIK3CD (0.75) PIK3CDRETKDRPIK3CAPIK3CG
SCHEMBL18922370 0.90 PIK3CD (0.80) PIK3CDRETKDRPIK3CAPIK3CG
SCHEMBL12422336 0.90 PIK3CD (0.82) PIK3CDRETKDRPIK3CAPIK3CG
SCHEMBL7944959 0.89 PIK3CD (0.73) PIK3CDRETKDRPIK3CAPIK3CG
SCHEMBL12422377 0.89 PIK3CD (0.68) PIK3CDRETKDRPIK3CAPIK3CG
SCHEMBL13826999 0.89 PIK3CD (0.68) PIK3CDRETKDRPIK3CAPIK3CG

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-2976086-B1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2020-10-14 EP disclosed
EP-3009436-B1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC (US) 2019-06-05 EP disclosed