SCHEMBL8092389

SCHEMBL8092389

Cc1cnc(NC(=O)Nc2ccc(-c3nc(N)cc(C4(S(C)(=O)=O)CC4)n3)cc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.37
ATR Q13535 2/20 0.37
PIK3CA P42336 4/20 0.35
MTOR P42345 4/20 0.35
PDGFRB P09619 2/20 0.35
KDR P35968 2/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PIK3CG P48736 1/20 0.34
FLT3 P36888 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
ABL1 P00519 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
SCHEMBL8091635 0.86 ATR (0.47) PIK3CDATRPIK3CAMTORPDGFRB
SCHEMBL8095575 0.86 ALDH1A1 (0.49) PIK3CDKDRRAB9ANPC1SMN1; SMN2
SCHEMBL8097448 0.85 PIK3CA (0.43) PIK3CDATRPIK3CAMTORPIK3CG
SCHEMBL8090195 0.84 RAB9A (0.47) PIK3CDATRPIK3CAMTORKDR
SCHEMBL8083616 0.83 ATR (0.42) PIK3CDATRPIK3CAMTORMAPT
SCHEMBL8089874 0.82 PIK3CD (0.45) PIK3CDATRPIK3CAMTORPIK3CG
SCHEMBL8098188 0.82 CA12 (0.44) PIK3CDATRPIK3CAMTORMAPT
SCHEMBL8097556 0.81 PIK3CA (0.42) PIK3CDATRPIK3CAMTORPIK3CG
SCHEMBL8098293 0.81 PIK3CA (0.42) PIK3CDATRPIK3CAMTORPIK3CG
SCHEMBL8095579 0.81 PIK3CD (0.44) PIK3CDATRPIK3CAMTORPIK3CG

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-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed