SCHEMBL8097960

SCHEMBL8097960

Cc1csc(S(=O)(=O)C2(c3cc(N)nc(-c4ccc(NC(=O)NCCCO)cc4)n3)CCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDR P35968 6/20 0.37
PDGFRB P09619 4/20 0.37
PIK3CD O00329 6/20 0.35
PIK3CA P42336 6/20 0.35
MTOR P42345 5/20 0.35
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
APEX1 P27695 1/20 0.33
PTPN7 P35236 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
SCHEMBL8096194 0.97 KDM4E (0.39) KDM4ERAB9ANPC1GLASMN1; SMN2
SCHEMBL8085149 0.95 PIK3CA (0.39) KDM4ERAB9ANPC1GLASMN1; SMN2
SCHEMBL8089088 0.92 PIK3CA (0.40) KDM4ERAB9ANPC1GLASMN1; SMN2
SCHEMBL8098772 0.89 PIK3CD (0.39) RAB9AKDRPIK3CDPIK3CAMTOR
SCHEMBL8091977 0.88 PIK3CD (0.35) RAB9APIK3CDPIK3CAALDH1A1POLB
SCHEMBL8093434 0.86 PIK3CD (0.35) RAB9APIK3CDPIK3CAPOLBJAK2
SCHEMBL8097954 0.86 MAPK1 (0.33) RAB9AKDRPIK3CDPIK3CAPOLB
SCHEMBL8083631 0.85 PIK3CD (0.41) KDM4ERAB9ANPC1GLASMN1; SMN2
SCHEMBL8090804 0.84 MTOR (0.37) RAB9AKDRPIK3CDPIK3CAMTOR
SCHEMBL8104820 0.84 CA2 (0.38) KDM4ERAB9ANPC1GLASMN1; SMN2

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