SCHEMBL2946218

SCHEMBL2946218

CCN1CCC(c2ccc(-c3nc4c(N)nc(N)nc4[nH]3)c(OC)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 7/20 0.47
CARM1 Q86X55 6/20 0.46
TLR9 Q9NR96 2/20 0.39
PTK2 Q05397 2/20 0.37
FLT4 P35916 1/20 0.37
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
PDE7A Q13946 1/20 0.36
PDE7B Q9NP56 1/20 0.36

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
SCHEMBL2950517 0.90 ADORA2A (0.40) CHEK1CARM1PDE7APDE7B
SCHEMBL2953250 0.87 CARM1 (0.40) CHEK1CARM1TLR9TLR8TLR7
SCHEMBL2956342 0.85 PDE4B (0.42) CARM1PDE7APDE7B
SCHEMBL2946339 0.81 CARM1 (0.41) CHEK1CARM1TLR9TLR8TLR7
SCHEMBL2948404 0.79 CARM1 (0.39) CARM1TLR9TLR8TLR7
SCHEMBL2946279 0.79 PDE4B (0.46) CHEK1PDE7APDE7B
SCHEMBL2947301 0.75 PDE2A (0.48)
SCHEMBL2946524 0.74 HRH4 (0.43) CHEK1
SCHEMBL2946224 0.74 CDK1 (0.40) CHEK1TLR9PTK2FLT4TLR7
SCHEMBL2953442 0.73 HRH4 (0.42) CHEK1

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