SCHEMBL1913482

SCHEMBL1913482

Nc1cnc(-c2nc(N3CC4CCC(C3)O4)nc3c2ncn3Cc2ccccc2)cn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.65
PIK3CA P42336 4/20 0.65
PIK3CB P42338 1/20 0.65
PIK3CG P48736 1/20 0.65
PIK3C3 Q8NEB9 1/20 0.65
ADORA2A P29274 6/20 0.43
ADORA1 P30542 2/20 0.43
HRH4 Q9H3N8 1/20 0.40
PNP P00491 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
PHLPP2 Q6ZVD8 1/20 0.38

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
SCHEMBL6899968 0.86 MTOR (0.76) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6898844 0.85 MTOR (0.69) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL7953012 0.84 PIK3CA (0.52) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6898690 0.83 MTOR (0.69) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6899131 0.82 PIK3CA (0.65) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL1913668 0.79 MTOR (0.80) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL30874351 0.79 MTOR (1.00) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL1913379 0.79 MTOR (1.00) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6898715 0.78 MTOR (0.67) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL1913389 0.78 YTHDC1 (0.54) ADORA2AADORA1HRH4PNPPDE4A

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-2011078795-A1 BRIDGED MORPHOLINO SUBSTITUTED PURINES S*BIO PTE LTD (SG) 2011-06-30 WO disclosed
WO-2011078795-A1 BRIDGED MORPHOLINO SUBSTITUTED PURINES S*BIO PTE LTD (SG) 2011-06-30 WO disclosed