SCHEMBL27979004

SCHEMBL27979004

Cn1c(CN2CCC(C3CCO3)C(c3ccccc3)C2)nc2c(N3CCOCC3)nc(Nc3ccccc3N)nc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.41
PIK3CG P48736 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CA P42336 2/20 0.36
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL2672774 0.81 PIK3CD (0.59) PIK3CDPIK3CGPIK3CBPIK3CAHPGD
SCHEMBL2673575 0.81 PIK3CD (0.48) PIK3CDPIK3CGPIK3CBPIK3CAHPGD
SCHEMBL2674384 0.80 PIK3CD (0.61) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2675258 0.78 PIK3CD (0.51) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL27979239 0.78 PIK3CD (0.47) PIK3CDPIK3CGPIK3CBPIK3CAHPGD
SCHEMBL2673790 0.70 PIK3CD (0.58) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2674773 0.69 PIK3CD (0.43) PIK3CDPIK3CGPIK3CBPIK3CAHPGD
SCHEMBL2674750 0.64 PIK3CD (0.53) PIK3CDPIK3CGPIK3CBPIK3CAMAPK1
SCHEMBL2270679 0.64 PIK3CD (0.64) PIK3CDPIK3CGPIK3CBPIK3CAHPGD
SCHEMBL2673388 0.64 PIK3CD (0.40) PIK3CDPIK3CGPIK3CAHPGDKDM4E

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
CN-102459272-B Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH INC 2014-08-06 CN disclosed