SCHEMBL18175791

SCHEMBL18175791

Cn1c(C(=O)NCC2CC2)nc2c(N3CCCCC3)ncnc21

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.63
PIK3R1 P27986 1/20 0.63
RXFP1 Q9HBX9 1/20 0.44
MAPT P10636 1/20 0.43
THRB P10828 3/20 0.43
UBE2N P61088 3/20 0.43
KMT2A Q03164 2/20 0.42
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL806202 0.85 PIK3CD (0.66) PIK3CDPIK3R1CNR1CNR2
SCHEMBL787665 0.83 PIK3CD (0.61) PIK3CDPIK3R1KMT2ACNR1CNR2
SCHEMBL806116 0.82 PIK3CD (0.60) PIK3CDPIK3R1CNR1CNR2
SCHEMBL788962 0.81 PIK3CD (0.69) PIK3CDPIK3R1KMT2ACNR1CNR2
SCHEMBL788059 0.80 PIK3CD (0.58) PIK3CDPIK3R1CNR1CNR2
SCHEMBL788303 0.79 PIK3CD (0.59) PIK3CDPIK3R1UBE2NKMT2ACNR1
SCHEMBL788603 0.79 PIK3CD (0.70) PIK3CDPIK3R1MAPTKMT2ACNR1
SCHEMBL788586 0.79 PIK3CD (0.57) PIK3CDPIK3R1KMT2ACNR1CNR2
SCHEMBL788491 0.79 PIK3CD (0.57) PIK3CDPIK3R1RXFP1MAPTCNR1
SCHEMBL794109 0.79 PIK3CD (0.59) PIK3CDPIK3R1UBE2NKMT2ACNR1

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