SCHEMBL3268614

SCHEMBL3268614

CCCCCc1ccn2nc(N)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.41
PIK3CD O00329 4/20 0.41
TLR8 Q9NR97 6/20 0.39
LPL P06858 2/20 0.38
LIPG Q9Y5X9 2/20 0.38
SKP2 Q13309 1/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL23761312 0.83 PIK3CG (0.45) PIK3CGPIK3CD
SCHEMBL963746 0.78 HTR2A (0.41) PIK3CGPIK3CDTLR8LPLLIPG
SCHEMBL20641321 0.67 PIK3CG (0.44) PIK3CGPIK3CD
SCHEMBL20641333 0.67 PIK3CG (0.44) PIK3CGPIK3CD
SCHEMBL744191 0.67 HSD11B1 (0.37) LPLLIPGHTR2A
Bromide SCHEMBL23356680 0.66 PIK3CG (0.43) PIK3CGPIK3CD
SCHEMBL21835232 0.66 KDM4E (0.39)
SCHEMBL3637622 0.66 NUDT1 (0.45) TLR8
SCHEMBL23761284 0.65 PIK3CG (0.43) PIK3CGPIK3CD
SCHEMBL31264190 0.65 PIK3CG (0.45) PIK3CGPIK3CD

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-2010007100-A1 7-SUBSTITUTED AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LTD (GB) 2010-01-21 WO disclosed