SCHEMBL2948404

SCHEMBL2948404

COc1cc(C2CCN(S(=O)(=O)CCCN3CCOCC3)CC2)ccc1-c1nc2c(N)nc(N)nc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.39
PIK3CD O00329 2/20 0.39
PIK3R1 P27986 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
TTK P33981 1/20 0.39
IKBKB O14920 1/20 0.38
ENPP2 Q13822 1/20 0.37
TLR4 O00206 1/20 0.36
LMNA P02545 2/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
KIT P10721 2/20 0.35
CCNT1 O60563 4/20 0.34
CDK9 P50750 4/20 0.34
PDPK1 O15530 1/20 0.34
KDM4E B2RXH2 1/20 0.34
S1PR2 O95136 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL2946339 0.97 CARM1 (0.41) CARM1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL2956342 0.83 PDE4B (0.42) CARM1CCNT1CDK9
SCHEMBL2948407 0.80 PIK3CD (0.40) PIK3CDPIK3R1PIK3CAPIK3CBTTK
SCHEMBL2946218 0.79 CHEK1 (0.47) CARM1TLR9TLR8TLR7
SCHEMBL2946341 0.77 PIK3CD (0.39) PIK3CDPIK3R1PIK3CAPIK3CBTTK
SCHEMBL2946279 0.75 PDE4B (0.46) PIK3CDPIK3R1PIK3CAPIK3CBLMNA
SCHEMBL2950517 0.74 ADORA2A (0.40) CARM1
SCHEMBL2952943 0.72 MAP2K7 (0.45) PIK3CATTK
SCHEMBL3701460 0.69 TTK (0.67) PIK3CBTTK
SCHEMBL2952310 0.67 NPC1 (0.50) KDM4EALDH1A1GAASMN1; 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-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO claimed