SCHEMBL1913668

SCHEMBL1913668

CC(C)n1cnc2c(-c3cnc(N)cn3)nc(N3CC4CCC(C3)O4)nc21

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 10/20 0.80
PIK3CA P42336 9/20 0.80
PIK3CB P42338 1/20 0.80
PIK3CG P48736 1/20 0.80
PIK3C3 Q8NEB9 1/20 0.80
CCNE1 P24864 4/20 0.38
CDK2 P24941 4/20 0.38
CDK1 P06493 3/20 0.38
CCNB1 P14635 2/20 0.38
PIK3R1 P27986 2/20 0.36
CDK5 Q00535 1/20 0.36
HDAC3 O15379 4/20 0.36
HDAC4 P56524 4/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC7 Q8WUI4 4/20 0.36
HDAC2 Q92769 4/20 0.36
HDAC10 Q969S8 4/20 0.36
HDAC11 Q96DB2 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
HDAC6 Q9UBN7 4/20 0.36

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
SCHEMBL6900750 0.92 MTOR (0.78) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6898576 0.89 MTOR (0.74) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6900260 0.89 MTOR (0.77) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL1913379 0.89 MTOR (1.00) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL30874351 0.89 MTOR (1.00) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6899737 0.89 MTOR (0.81) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6900967 0.88 MTOR (0.77) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6900006 0.87 MTOR (0.91) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6900930 0.85 MTOR (0.88) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6899968 0.85 MTOR (0.76) MTORPIK3CAPIK3CBPIK3CGPIK3C3

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