SCHEMBL8092884

SCHEMBL8092884

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.41
NAMPT P43490 1/20 0.39
LMNA P02545 1/20 0.38
PIK3CD O00329 7/20 0.38
KIT P10721 1/20 0.38
PDGFRA P16234 1/20 0.38
EPHX2 P34913 1/20 0.37
CIT O14578 1/20 0.37
PIK3CA P42336 4/20 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
SCHEMBL8090594 0.87 PIK3CD (0.40) KDRNAMPTPIK3CDKITPIK3CA
SCHEMBL8095600 0.87 CA12 (0.39) NAMPTPIK3CDEPHX2
SCHEMBL8089827 0.86 PIK3CD (0.37) KDRPIK3CDPIK3CA
SCHEMBL8098261 0.86 MTOR (0.43) PIK3CDPIK3CA
SCHEMBL8081794 0.85 PIK3CA (0.44) NAMPTPIK3CA
SCHEMBL8097227 0.83 PIK3CD (0.43) KDRNAMPTLMNAPIK3CDKIT
SCHEMBL8099845 0.82 KDR (0.41) KDRNAMPTLMNAPIK3CDKIT
SCHEMBL8098056 0.81 KDM4E (0.38) KDRPIK3CDPIK3CA
SCHEMBL8105807 0.81 PIK3CD (0.42) KDRNAMPTLMNAPIK3CDKIT
SCHEMBL8081823 0.81 PIK3CD (0.42) KDRNAMPTLMNAPIK3CDKIT

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