SCHEMBL788587

SCHEMBL788587

Cn1c(C(=O)NCC2CC2)nc2c(N3CCC(N4Cc5ccccc5NC4=O)CC3)ncnc21

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.65
PIK3R1 P27986 1/20 0.65
CALCRL Q16602 14/20 0.41
RAMP1 O60894 8/20 0.41
CHRM4 P08173 2/20 0.41
CTSS P25774 2/20 0.40
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
CHRM1 P11229 1/20 0.38

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
SCHEMBL794645 0.81 PIK3CD (0.65) PIK3CDPIK3R1
SCHEMBL10229605 0.81 PIK3CD (0.62) PIK3CDPIK3R1
SCHEMBL788883 0.81 PIK3CD (0.62) PIK3CDPIK3R1
SCHEMBL787761 0.81 PIK3CD (0.65) PIK3CDPIK3R1TNKSPARP1
SCHEMBL788011 0.80 PIK3CD (0.63) PIK3CDPIK3R1
SCHEMBL15490647 0.80 PIK3CD (0.63) PIK3CDPIK3R1
SCHEMBL788012 0.80 PIK3CD (0.63) PIK3CDPIK3R1
SCHEMBL806199 0.79 PIK3CD (0.60) PIK3CDPIK3R1TNKSTNKS2
SCHEMBL806202 0.79 PIK3CD (0.66) PIK3CDPIK3R1
SCHEMBL787981 0.79 PIK3CD (1.00) PIK3CDPIK3R1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616469-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-07-24 EP claimed
WO-2012037226-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-03-22 WO claimed