SCHEMBL3797372

SCHEMBL3797372

NC(=O)Nc1ccc(-c2cc3nccn3c(N3CCOCC3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.53
BRAF P15056 1/20 0.53
ATR Q13535 2/20 0.49
MTOR P42345 5/20 0.45
JAK2 O60674 7/20 0.44
MOK Q9UQ07 1/20 0.44
JAK3 P52333 4/20 0.43
MAPKAPK5 Q8IW41 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
PIK3CA P42336 2/20 0.42
GRIA1 P42261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
PIK3CG P48736 1/20 0.41

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
SCHEMBL3728227 0.88 MTOR (0.55) RAF1BRAFATRMTORJAK2
SCHEMBL3718876 0.88 MTOR (0.57) RAF1BRAFATRMTORPIK3CA
SCHEMBL3724095 0.86 GAA (0.51) RAF1BRAFATRMTORJAK2
SCHEMBL3722456 0.82 ATR (0.56) RAF1BRAFATRMTORPIK3CA
SCHEMBL3802375 0.76 PIK3CA (0.57) MTORJAK2JAK3JAK1TYK2
SCHEMBL2573121 0.72 XDH (0.46) ATRJAK2NPSR1
SCHEMBL2369996 0.71 PIK3CA (0.71) MTORJAK2PIK3CAPIK3CG
SCHEMBL10831202 0.70 ATR (0.52) RAF1BRAFATRMTORPIK3CA
SCHEMBL3624404 0.70 PIK3CA (0.75) MTORPIK3CAPIK3CG
SCHEMBL16078183 0.70 RAF1 (1.00) RAF1BRAF

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-2010120994-A2 UREIDOARYL-AND CARBAMOYLARYL-MORPHOLINO- PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH LLC (US) 2010-10-21 WO disclosed