SCHEMBL3729231

SCHEMBL3729231

CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3sccc3n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.72
PIK3CA P42336 12/20 0.72
RAF1 P04049 1/20 0.67
PDGFRB P09619 1/20 0.67
KIT P10721 1/20 0.67
FLT3 P36888 1/20 0.67
PIK3CG P48736 2/20 0.66
PIK3CD O00329 1/20 0.66
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56

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
SCHEMBL3718908 0.90 MTOR (0.72) MTORPIK3CARAF1PDGFRBKIT
SCHEMBL3729266 0.90 MTOR (0.72) MTORPIK3CARAF1PDGFRBKIT
SCHEMBL3723351 0.89 MTOR (0.73) MTORPIK3CARAF1PDGFRBKIT
SCHEMBL3721513 0.89 PIK3CA (0.65) MTORPIK3CARAF1PDGFRBKIT
SCHEMBL3722385 0.87 PIK3CA (0.75) MTORPIK3CARAF1PDGFRBKIT
SCHEMBL3728423 0.86 MTOR (0.74) MTORPIK3CARAF1PDGFRBKIT
SCHEMBL3722292 0.85 MTOR (0.74) MTORPIK3CARAF1PDGFRBKIT
SCHEMBL55907 0.83 MTOR (1.00) MTORPIK3CA
SCHEMBL13828916 0.81 MTOR (0.76) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL3989822 0.80 MTOR (0.68) MTORPIK3CAPIK3CGPIK3CD

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
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 claimed
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