SCHEMBL1767943

SCHEMBL1767943

Cc1nc(-c2nnc[nH]2)ccc1-c1cnc2c(c1)N(C(C)C)C(=O)CN2

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 11/20 0.51
RPTOR Q8N122 11/20 0.51
MLST8 Q9BVC4 11/20 0.51
PIK3CA P42336 2/20 0.39
CSF1R P07333 1/20 0.39
PRKDC P78527 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39

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
SCHEMBL1767907 0.86 MTOR (0.51) MTORRPTORMLST8PIK3CACSF1R
SCHEMBL29522317 0.83 MTOR (0.72) MTORRPTORMLST8PIK3CACSF1R
SCHEMBL138084 0.83 MTOR (0.72) MTORRPTORMLST8PIK3CACSF1R
SCHEMBL138359 0.74 MTOR (0.55) MTORRPTORMLST8PIK3CACSF1R
Cc-115 SCHEMBL29522125 0.72 MTOR (0.72) MTORRPTORMLST8PIK3CACSF1R
SCHEMBL19644893 0.72 MTOR (0.54) MTORRPTORMLST8PIK3CACSF1R
Cc-115 SCHEMBL135765 0.72 MTOR (0.72) MTORRPTORMLST8PIK3CACSF1R
Cc-115 SCHEMBL1767621 0.72 MTOR (0.71) MTORRPTORMLST8PIK3CACSF1R
SCHEMBL136183 0.71 MTOR (0.43) MTORRPTORMLST8PIK3CACSF1R
SCHEMBL29828712 0.71 MTOR (0.43) MTORRPTORMLST8PIK3CACSF1R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493472-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS Signal Pharmaceuticals, LLC (US) 2012-09-05 EP disclosed
WO-2011053518-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC (US) 2011-05-05 WO disclosed