SCHEMBL8091914

SCHEMBL8091914

CNC(=O)Nc1ncc(-c2nc(N[C@@H](C)CO)cc(C3(S(=O)(=O)C4CC4)CC3)n2)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.35
MTOR P42345 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
EGFR P00533 4/20 0.34
FPR2 P25090 1/20 0.32
SCN9A Q15858 1/20 0.32
KIF18A Q8NI77 2/20 0.32
SYK P43405 2/20 0.31
KDR P35968 2/20 0.31
CCNT1 O60563 1/20 0.30
CA2 P00918 1/20 0.30
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
CDK2 P24941 1/20 0.30
CDK7 P50613 1/20 0.30
CDK9 P50750 1/20 0.30
CCNH P51946 1/20 0.30

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
SCHEMBL8090843 0.87 PIK3CA (0.45) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL8094369 0.77 PIK3CD (0.44) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL8097098 0.77 PIK3CA (0.46) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL8091932 0.76 FPR2 (0.40) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL8097557 0.74 PIK3CD (0.45) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3930083 0.74 MTOR (0.60) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL8095926 0.74 PIK3CA (0.43) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL8094419 0.73 CXCR2 (0.38) PIK3CAMTORPIK3CDPIK3CGFPR2
SCHEMBL11926125 0.69 PIK3CA (0.42) PIK3CAMTORPIK3CDPIK3CGFPR2
SCHEMBL3926444 0.68 PIK3CA (0.70) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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