SCHEMBL8096186

SCHEMBL8096186

CC(C)CNC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.40
PIK3CD O00329 4/20 0.40
PIK3CA P42336 1/20 0.39
NAMPT P43490 4/20 0.38
KDR P35968 1/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
PCTP Q9UKL6 1/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATM Q13315 1/20 0.36

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
SCHEMBL8093145 0.92 MAPT (0.39) MAPTPIK3CDPIK3CANAMPTCA2
SCHEMBL8097426 0.92 NAMPT (0.41) MAPTLMNAPIK3CDPIK3CANAMPT
SCHEMBL8099812 0.91 NAMPT (0.44) PIK3CDPIK3CANAMPTKDR
SCHEMBL8104051 0.88 NAMPT (0.38) LMNAPIK3CDPIK3CANAMPTKDR
SCHEMBL8098775 0.88 CA1 (0.43) MAPTPIK3CDPIK3CANAMPTCA2
SCHEMBL8083924 0.87 PIK3CA (0.44) MAPTPIK3CDPIK3CANAMPTCA2
SCHEMBL8097227 0.87 PIK3CD (0.43) LMNAPIK3CDPIK3CANAMPTKDR
SCHEMBL8092289 0.86 CA1 (0.41) MAPTPIK3CDPIK3CANAMPTCA2
SCHEMBL8099845 0.86 KDR (0.41) LMNAPIK3CDPIK3CANAMPTKDR
SCHEMBL8090572 0.84 PIK3CD (0.41) LMNAPIK3CDPIK3CANAMPTKDR

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