SCHEMBL3726546

SCHEMBL3726546

C[C@@H]1COCCN1c1cc(C2=CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PIK3C3 Q8NEB9 1/20 0.46
ATR Q13535 8/20 0.45
CHEK1 O14757 6/20 0.45
PDCD1 Q15116 6/20 0.45
ATRIP Q8WXE1 6/20 0.45
CD274 Q9NZQ7 6/20 0.45
MAPK14 Q16539 1/20 0.43
PIK3CA P42336 5/20 0.43
PIK3CD O00329 1/20 0.40

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
SCHEMBL3723500 0.87 MEN1 (0.60) MTORMEN1KMT2AATRCHEK1
SCHEMBL3723498 0.87 MEN1 (0.60) MTORMEN1KMT2AATRCHEK1
SCHEMBL3721205 0.82 MEN1 (0.54) MTORMEN1KMT2AATRCHEK1
SCHEMBL3721210 0.82 MEN1 (0.54) MTORMEN1KMT2AATRCHEK1
SCHEMBL628567 0.81 KMT2A (0.46) MTORMEN1KMT2AMAPK14PIK3CA
SCHEMBL2710100 0.76 MTOR (0.55) MTORPIK3C3PIK3CAPIK3CD
SCHEMBL2710104 0.76 MTOR (0.55) MTORPIK3C3PIK3CAPIK3CD
SCHEMBL1408910 0.75 MTOR (0.59) MTORMEN1KMT2APIK3CA
SCHEMBL1408907 0.75 MTOR (0.59) MTORMEN1KMT2APIK3CA
SCHEMBL2708898 0.74 MTOR (0.54) MTORPIK3C3PIK3CAPIK3CD

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 disclosed
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