SCHEMBL545487

SCHEMBL545487

O=C1CN(CCC2CCOCC2)c2nc(-c3ccc4[nH]cnc4n3)cnc2N1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.68
PIK3CA P42336 11/20 0.61
RPTOR Q8N122 8/20 0.61
MLST8 Q9BVC4 8/20 0.61
RICTOR Q6R327 2/20 0.61
MAPKAP1 Q9BPZ7 2/20 0.61
CSF1R P07333 1/20 0.51

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
SCHEMBL29522148 0.85 MTOR (0.69) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL138187 0.85 MTOR (0.69) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL17470878 0.83 MTOR (0.74) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL138636 0.82 MTOR (0.80) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL29522404 0.81 MTOR (1.00) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL135886 0.81 MTOR (1.00) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL29543291 0.80 MTOR (0.74) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL138618 0.80 MTOR (0.74) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL138262 0.80 MTOR (0.66) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL29522102 0.80 MTOR (0.88) MTORPIK3CARPTORMLST8RICTOR

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
US-8110578-B2 Pyrazino[2,3-b]pyrazine mTOR kinase inhibitors for oncology indications and diseases associated with the mTOR/PI3K/Akt pathway SIGNAL PHARMACEUTICALS, LLC (US) 2012-02-07 US claimed