SCHEMBL8089216

SCHEMBL8089216

Nc1cc(C2(S(=O)(=O)c3ccc(F)c(F)c3)CC2)nc(-c2ccc(NC(=O)NCC(F)F)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 12/20 0.41
PIK3CD O00329 5/20 0.36
PIK3CA P42336 3/20 0.36
CASR P41180 1/20 0.33
KDR P35968 1/20 0.33
EPHB4 P54760 1/20 0.33
TEK Q02763 1/20 0.33
MTOR P42345 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
SCHEMBL8093145 0.91 MAPT (0.39) NAMPTPIK3CDPIK3CAMTOR
SCHEMBL8093138 0.89 NAMPT (0.40) NAMPTPIK3CDPIK3CAMTOR
SCHEMBL8090705 0.89 NAMPT (0.40) NAMPTPIK3CDPIK3CAMTOR
SCHEMBL8099965 0.89 NAMPT (0.39) NAMPTPIK3CDPIK3CACASR
SCHEMBL8097253 0.87 PIK3CD (0.36) NAMPTPIK3CDPIK3CAMTOR
SCHEMBL8097712 0.87 KMT2A (0.39) NAMPTPIK3CDPIK3CAKDREPHB4
SCHEMBL8091502 0.87 NAMPT (0.39) NAMPTPIK3CDPIK3CA
SCHEMBL8093534 0.86 NAMPT (0.41) NAMPTPIK3CDPIK3CAMTOR
SCHEMBL8084982 0.86 KIF11 (0.38) NAMPTKDREPHB4TEK
SCHEMBL8093179 0.85 RAB9A (0.42) PIK3CAMTOR

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