SCHEMBL8099749

SCHEMBL8099749

CNC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)c4ccncc4)CC3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.40
PIK3CA P42336 8/20 0.39
PIK3CG P48736 4/20 0.39
PIP4K2A P48426 1/20 0.39
PIP4K2B P78356 1/20 0.39
KMT2A Q03164 1/20 0.39
NAMPT P43490 3/20 0.36
PIK3CD O00329 6/20 0.36
CDK1 P06493 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL8090246 0.91 PIK3CA (0.42) MTORPIK3CAPIK3CGPIP4K2APIP4K2B
SCHEMBL8092637 0.91 KMT2A (0.42) MTORPIK3CAPIK3CGPIP4K2APIP4K2B
SCHEMBL8097257 0.90 ALDH1A1 (0.41) MTORPIK3CAPIK3CGKMT2A
SCHEMBL8092850 0.90 CA12 (0.42) MTORPIK3CAPIK3CGNAMPTPIK3CD
SCHEMBL8083973 0.90 ALDH1A1 (0.43) MTORPIK3CAPIK3CGPIP4K2APIP4K2B
SCHEMBL8090868 0.89 MTOR (0.38) MTORPIK3CAPIK3CGKMT2ANAMPT
SCHEMBL8083655 0.88 NAMPT (0.43) PIK3CAKMT2ANAMPTPIK3CD
SCHEMBL8099405 0.88 EPHX1 (0.42) MTORPIK3CAKMT2ANAMPT
SCHEMBL8096342 0.88 PIK3CA (0.41) MTORPIK3CAPIK3CGPIP4K2APIP4K2B
SCHEMBL8089917 0.88 PIK3CA (0.39) MTORPIK3CAPIK3CGPIP4K2APIP4K2B

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