SCHEMBL7946716

SCHEMBL7946716

CCC(N)n1cnc2c(-c3cnc(N)cn3)nc(N3CCOCC3)nc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.59
MTOR P42345 7/20 0.59
PIK3CB P42338 2/20 0.59
PIK3CG P48736 2/20 0.59
PIK3C3 Q8NEB9 1/20 0.59
PIK3R1 P27986 6/20 0.51
HDAC1 Q13547 12/20 0.43
HDAC3 O15379 9/20 0.43
HDAC4 P56524 9/20 0.43
HDAC7 Q8WUI4 9/20 0.43
HDAC2 Q92769 9/20 0.43
HDAC10 Q969S8 9/20 0.43
HDAC11 Q96DB2 9/20 0.43
HDAC8 Q9BY41 9/20 0.43
HDAC6 Q9UBN7 9/20 0.43
HDAC9 Q9UKV0 9/20 0.43
HDAC5 Q9UQL6 9/20 0.43
PIK3CD O00329 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42

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
SCHEMBL7955237 0.91 PIK3CA (0.71) PIK3CAMTORPIK3CBPIK3CGPIK3C3
SCHEMBL1577823 0.90 PIK3CA (0.59) PIK3CAMTORPIK3CBPIK3CGPIK3C3
SCHEMBL12618119 0.87 PIK3CA (0.56) PIK3CAMTORPIK3CBPIK3CGPIK3C3
SCHEMBL8063024 0.86 PIK3CA (0.77) PIK3CAMTORPIK3CBPIK3CGPIK3R1
SCHEMBL7953034 0.86 PIK3CA (0.61) PIK3CAMTORPIK3CBPIK3CGPIK3C3
SCHEMBL7946722 0.83 PIK3CA (0.56) PIK3CAMTORPIK3CBPIK3CGPIK3C3
SCHEMBL7956679 0.83 PIK3CA (0.58) PIK3CAMTORPIK3CBPIK3CGPIK3C3
SCHEMBL7957343 0.81 PIK3CA (0.50) PIK3CAMTORPIK3CBPIK3CGPIK3C3
SCHEMBL7953828 0.80 PIK3CA (0.51) PIK3CAMTORPIK3CBPIK3CGPIK3C3
SCHEMBL7946720 0.78 PIK3CA (0.51) PIK3CAMTORPIK3CBPIK3CGPIK3C3

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-2009157880-A1 PYRAZINE SUBSTITUTED PURINES S*BIO PTE LTD (SG) 2009-12-30 WO disclosed