SCHEMBL7874415

SCHEMBL7874415

CC(=N)c1ccc(N2CCN(C(=O)CN3CCC(C(=O)Nc4ccc(O)c(Cl)c4)C3)CC2)cc1

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 20/20 0.87
▸ RPS6KA3 P51812 1/20 0.87

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
SCHEMBL10236168 0.93 MAPK1 (1.00) MAPK1RPS6KA3
SCHEMBL14452909 0.93 MAPK1 (1.00) MAPK1RPS6KA3
SCHEMBL7878839 0.93 MAPK1 (1.00) MAPK1RPS6KA3
SCHEMBL10236146 0.92 MAPK1 (0.87) MAPK1RPS6KA3
SCHEMBL10236105 0.92 MAPK1 (0.87) MAPK1RPS6KA3
SCHEMBL13118891 0.90 MAPK1 (0.85) MAPK1RPS6KA3
SCHEMBL10236174 0.90 MAPK1 (0.85) MAPK1RPS6KA3
SCHEMBL13118861 0.90 MAPK1 (0.84) MAPK1RPS6KA3
SCHEMBL10236170 0.90 MAPK1 (0.84) MAPK1RPS6KA3
SCHEMBL13118820 0.88 MAPK1 (0.81) MAPK1RPS6KA3

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-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 — — WO disclosed
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