SCHEMBL14728568

SCHEMBL14728568

C=C/C=C(\C=C/N)c1cc(O)n2nc(C)c(Cc3ccccc3C)c2n1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.33
PIK3CD O00329 2/20 0.30
PIK3CB P42338 2/20 0.30
TSHR P16473 2/20 0.30
HSD17B10 Q99714 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL14728249 0.87 CCR2 (0.32) PIK3CDPIK3CB
SCHEMBL14728428 0.83 ROCK2 (0.30)
SCHEMBL14728235 0.81 ADCY10 (0.31) ALDH1A1
SCHEMBL14728328 0.77 PIK3CB (0.55) PIK3CDPIK3CB
SCHEMBL14728405 0.77 PIK3CD (0.35) PIK3CDPIK3CB
SCHEMBL14728443 0.77 USP2 (0.30) USP2
SCHEMBL14728548 0.77 PIK3CB (0.32) PIK3CDPIK3CB
SCHEMBL14720445 0.72 KDM4E (0.42) USP2PIK3CDPIK3CBTSHRHSD17B10
SCHEMBL14728354 0.70 PIK3CB (0.45) PIK3CDPIK3CB
Acetic Acid SCHEMBL14720357 0.68 KDM4E (0.43) USP2PIK3CDPIK3CBTSHRHSD17B10

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-2013028263-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 WO disclosed