SCHEMBL2945106

SCHEMBL2945106

Nc1nc(N)c2nc(C3CCOCC3)nc-2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE8B O95263 1/20 0.35
▸ TDP2 O95551 1/20 0.33
▸ PIK3CA P42336 4/20 0.33
▸ MTOR P42345 4/20 0.33
▸ PDE10A Q9Y233 1/20 0.30

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
SCHEMBL2953130 0.85 KDM4E (0.33) PDE8BTDP2PDE10A
SCHEMBL30784984 0.69 PIK3CA (0.39) PDE8BTDP2PIK3CAMTORPDE10A
SCHEMBL14833240 0.67 GAA (0.44) PDE8BTDP2PIK3CAMTOR
SCHEMBL20692987 0.61 PDE10A (0.40) PDE8BTDP2PIK3CAMTORPDE10A
SCHEMBL1694217 0.61 PIK3CA (0.40) PDE8BPIK3CAMTOR
SCHEMBL2953112 0.60 MTOR (0.34) PIK3CAMTOR
SCHEMBL26975235 0.59 PIK3CA (0.39) PDE8BTDP2PIK3CAMTORPDE10A
SCHEMBL28004912 0.59 PNP (0.42) PDE10A
SCHEMBL29763294 0.59 PIK3CA (0.33) PDE8BPIK3CAMTOR
SCHEMBL855517 0.59 PIK3CA (0.38) TDP2PIK3CAMTORPDE10A

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
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