SCHEMBL8214265

SCHEMBL8214265

CC(C)CNC(=O)Nc1ccc(-c2nc(N)cc(C(C)(C)[S+](C)[O-])n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.42
LMNA P02545 1/20 0.39
KIT P10721 1/20 0.38
PDGFRA P16234 1/20 0.38
NAMPT P43490 2/20 0.38
CIT O14578 1/20 0.37
MCL1 Q07820 1/20 0.36
PIK3CA P42336 2/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
LIMK1 P53667 1/20 0.36
PTK2 Q05397 1/20 0.35
PTGS2 P35354 1/20 0.35
PIK3CD O00329 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
SCHEMBL11925701 0.87 PIK3CA (0.41) KDRPIK3CAMTORPIK3CGPTK2
SCHEMBL11925409 0.87 GHSR (0.45) KDRKITNAMPTPIK3CAMTOR
SCHEMBL11926845 0.85 F7 (0.38) KDRPIK3CAMTORPIK3CGPTK2
SCHEMBL8212643 0.85 ALDH1A1 (0.42) KDRLMNANAMPTMCL1PIK3CA
SCHEMBL8204518 0.85 PIK3CA (0.46) NAMPTPIK3CAMTORPIK3CG
SCHEMBL8204574 0.83 KIF11 (0.43) LMNAMTORPTK2
SCHEMBL8211613 0.83 KDR (0.43) KDRLMNAKITPDGFRANAMPT
SCHEMBL11925483 0.82 KDR (0.43) KDRLMNAKITPDGFRANAMPT
SCHEMBL8213351 0.81 TSHR (0.46) KDRKITNAMPTPIK3CAMTOR
SCHEMBL8221056 0.81 PIK3CA (0.39) KDRNAMPTPIK3CAMTORPIK3CG

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-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed