SCHEMBL482812

SCHEMBL482812

Cc1cc(-c2cnc3[nH]c(=O)n(CC4CCCCC4)c3n2)ccc1C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.76
PIK3CA P42336 4/20 0.76
GSK3A P49840 2/20 0.66
MAP3K11 Q16584 1/20 0.60

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
SCHEMBL4409605 0.91 MTOR (0.69) MTORPIK3CAMAP3K11
SCHEMBL481693 0.87 MTOR (1.00) MTORPIK3CAGSK3A
SCHEMBL481490 0.84 MTOR (0.73) MTORPIK3CAGSK3A
SCHEMBL481800 0.82 MTOR (0.80) MTORPIK3CAGSK3AMAP3K11
SCHEMBL2206999 0.82 MTOR (1.00) MTORPIK3CAGSK3A
SCHEMBL481424 0.82 MTOR (1.00) MTORPIK3CAGSK3A
SCHEMBL481413 0.81 MTOR (1.00) MTORPIK3CAGSK3A
SCHEMBL481850 0.81 MTOR (0.77) MTORPIK3CAGSK3A
SCHEMBL481512 0.81 MTOR (0.80) MTORPIK3CAGSK3A
SCHEMBL481423 0.81 MTOR (0.80) MTORPIK3CAGSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2090577-B1 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2017-04-05 EP disclosed
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP disclosed