SCHEMBL795547

SCHEMBL795547

CCC(C(=O)O)n1cc(-c2nc3c(N4CCC(n5c(=O)[nH]c6ccccc65)CC4)ncnc3n2C)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.57
PIK3R1 P27986 2/20 0.57
PDE2A O00408 1/20 0.52
PDE4A P27815 1/20 0.52
PIK3CA P42336 1/20 0.52
PDE1A P54750 1/20 0.52
PDE1B Q01064 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
PDE3B Q13370 1/20 0.52
PDE1C Q14123 1/20 0.52
PDE3A Q14432 1/20 0.52
PDE10A Q9Y233 1/20 0.52
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PMP22 Q01453 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CHRM1 P11229 3/20 0.42
CHRM2 P08172 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
SCHEMBL15485331 0.88 PIK3CD (0.57) PIK3CDPIK3R1PDE2APDE4APIK3CA
SCHEMBL794897 0.86 PIK3CD (0.60) PIK3CDPIK3R1PDE2APDE4APIK3CA
SCHEMBL794875 0.86 PIK3CD (0.60) PIK3CDPIK3R1PDE2APDE4APIK3CA
SCHEMBL795067 0.85 PIK3CD (0.59) PIK3CDPIK3R1PDE2APDE4APIK3CA
SCHEMBL788142 0.85 PIK3CD (0.58) PIK3CDPIK3R1PDE2APDE4APIK3CA
SCHEMBL798311 0.84 PIK3CD (0.59) PIK3CDPIK3R1PDE2APDE4APIK3CA
SCHEMBL794215 0.83 PIK3CD (0.57) PIK3CDPIK3R1PDE2APDE4APIK3CA
SCHEMBL10229609 0.83 PIK3CD (0.65) PIK3CDPIK3R1PDE2APDE4APIK3CA
SCHEMBL806331 0.83 PIK3CD (0.57) PIK3CDPIK3R1PDE2APDE4APIK3CA
SCHEMBL10227830 0.83 PIK3CD (0.56) PIK3CDPIK3R1PDE2APDE4APIK3CA

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
EP-2616469-B1 9H-PURINE COMPOUNDS AS PI3K-DELTA INHIBITORS AND METHODS FOR THEIR MANUFACTURE EXELIXIS INC (US) 2016-10-26 EP disclosed