SCHEMBL2716680

SCHEMBL2716680

CCN(C(=O)O)c1nc2ccc(F)cc2c(N(C)C)c1-c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.47
PIK3CA P42336 6/20 0.47
PIK3CB P42338 6/20 0.47
PIK3CG P48736 6/20 0.47
GRM1 Q13255 3/20 0.43
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE10A Q9Y233 3/20 0.38
CTSD P07339 1/20 0.38
GUSB P08236 1/20 0.38
DHODH Q02127 2/20 0.38
FFAR1 O14842 1/20 0.37
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
CBFB Q13951 1/20 0.37
PLA2G2A P14555 1/20 0.36

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
SCHEMBL6122791 0.89 GRM1 (0.46) PIK3CDPIK3CAPIK3CBPIK3CGGRM1
SCHEMBL2716749 0.89 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGGRM1
SCHEMBL2719961 0.86 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPIK3CGGRM1
SCHEMBL6122677 0.82 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CGGRM1
SCHEMBL6122842 0.81 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGGRM1
SCHEMBL6128775 0.78 GRM1 (0.41) PIK3CDPIK3CAPIK3CBPIK3CGGRM1
SCHEMBL2716683 0.77 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL2717090 0.76 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CGGRM1
SCHEMBL3781566 0.76 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL2716698 0.75 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E

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-2445900-A2 POLYCYCLIC DERIVATIVES OF PYRIDINE AND THEIR USE IN THE TREATMENT OF (INTER ALIA) RHEUMATOID ARTHRITIS AND SIMILAR DISEASES Amgen, Inc (US) 2012-05-02 EP disclosed
WO-2010151740-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed