SCHEMBL10147659

SCHEMBL10147659

C[C@H](Nc1ncnc(N)c1N)c1nc2c(Cl)cccc2cc1C(=O)NC1CCC(C)(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.40
PIK3R2 O00459 5/20 0.37
PIK3CD O00329 6/20 0.35
PIK3CG P48736 4/20 0.35
MAP4K4 O95819 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
BMPR1B O00238 2/20 0.34
BMPR1A P36894 2/20 0.34
TGFBR1 P36897 2/20 0.34
ACVRL1 P37023 2/20 0.34
ACVR1 Q04771 2/20 0.34
BTK Q06187 1/20 0.34

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
SCHEMBL1695012 0.91 PIK3R2 (0.47) PIK3R2PIK3CDPIK3CG
SCHEMBL14815987 0.91 PIK3R2 (0.47) PIK3R2PIK3CDPIK3CG
SCHEMBL1695360 0.84 PIK3R2 (0.52) PIK3R2PIK3CDPIK3CG
SCHEMBL10147643 0.84 PIK3R2 (0.52) PIK3R2PIK3CDPIK3CG
SCHEMBL10146911 0.77 HPGD (0.46) PIK3CD
SCHEMBL10147644 0.76 PIK3CD (0.42) PIK3CDPIK3CGMAP4K4
SCHEMBL1695013 0.75 PTGES (0.41) PTGESPIK3R2PIK3CDPIK3CG
SCHEMBL10146891 0.74 PIK3R2 (0.35) PIK3R2PIK3CDPIK3CG
SCHEMBL10147661 0.74 PIK3CD (0.52) PIK3R2PIK3CDPIK3CG
SCHEMBL1695240 0.74 PIK3CD (0.52) PIK3R2PIK3CDPIK3CG

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-2012003274-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed