SCHEMBL8094619

SCHEMBL8094619

CNC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)c4cncc(F)c4)CC3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 2/20 0.40
PIP4K2B P78356 2/20 0.40
NAMPT P43490 3/20 0.38
PIK3CA P42336 6/20 0.37
MTOR P42345 4/20 0.37
PIK3CG P48736 1/20 0.37
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.35
PIK3CD O00329 8/20 0.34
CTPS1 P17812 2/20 0.34
PIK3R1 P27986 1/20 0.33
SMG1 Q96Q15 1/20 0.33

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
SCHEMBL8089917 0.91 PIK3CA (0.39) PIP4K2APIP4K2BNAMPTPIK3CAMTOR
SCHEMBL8091026 0.90 NAMPT (0.36) NAMPTPIK3CAMTORCYP2C9KMT2A
SCHEMBL8083973 0.89 ALDH1A1 (0.43) PIP4K2APIP4K2BNAMPTPIK3CAMTOR
SCHEMBL8099749 0.86 MTOR (0.40) PIP4K2APIP4K2BNAMPTPIK3CAMTOR
SCHEMBL8097712 0.86 KMT2A (0.39) PIP4K2APIP4K2BNAMPTPIK3CAMTOR
SCHEMBL8092637 0.85 KMT2A (0.42) PIP4K2APIP4K2BPIK3CAMTORPIK3CG
SCHEMBL8090246 0.85 PIK3CA (0.42) PIP4K2APIP4K2BNAMPTPIK3CAMTOR
SCHEMBL8097257 0.84 ALDH1A1 (0.41) PIK3CAMTORPIK3CGKMT2A
SCHEMBL8094423 0.83 CA2 (0.43) PIK3CAMTORPIK3CGKMT2A
SCHEMBL8097448 0.82 PIK3CA (0.43) PIP4K2APIP4K2BPIK3CAMTORPIK3CG

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