SCHEMBL2946339

SCHEMBL2946339

COc1cc(C2CCN(CCCS(=O)(=O)N3CCOCC3)CC2)ccc1-c1nc2c(N)nc(N)nc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 4/20 0.41
TLR9 Q9NR96 3/20 0.38
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
TTK P33981 1/20 0.37
TLR4 O00206 1/20 0.35
IKBKB O14920 1/20 0.35
ENPP2 Q13822 1/20 0.35
KCNH2 Q12809 1/20 0.34
CCNT1 O60563 2/20 0.34
CDK9 P50750 2/20 0.34
CHEK1 O14757 3/20 0.34
HTR4 Q13639 1/20 0.34
LMNA P02545 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
SCHEMBL2948404 0.97 CARM1 (0.39) CARM1TLR9TLR8TLR7PIK3CD
SCHEMBL2956342 0.81 PDE4B (0.42) CARM1CCNT1CDK9
SCHEMBL2946218 0.81 CHEK1 (0.47) CARM1TLR9TLR8TLR7CHEK1
SCHEMBL2946341 0.80 PIK3CD (0.39) TLR9TLR8TLR7PIK3CDPIK3R1
SCHEMBL2948407 0.77 PIK3CD (0.40) TLR9TLR8TLR7PIK3CDPIK3R1
SCHEMBL2946279 0.75 PDE4B (0.46) PIK3CDPIK3R1PIK3CAPIK3CBCCNT1
SCHEMBL2950517 0.74 ADORA2A (0.40) CARM1CHEK1
SCHEMBL2952943 0.72 MAP2K7 (0.45) PIK3CATTKCHEK1
SCHEMBL2953250 0.70 CARM1 (0.40) CARM1TLR9TLR8TLR7CHEK1
SCHEMBL3135141 0.69 TTK (0.65) PIK3CBTTK

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