SCHEMBL2717528

SCHEMBL2717528

Nc1cc(NCCc2nc3ccc(F)cc3cc2-c2ccccn2)ncn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.45
PIK3CG P48736 9/20 0.45
CASP6 P55212 1/20 0.38
MAP4K4 O95819 2/20 0.36
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
CBFB Q13951 1/20 0.35
PIK3CB P42338 8/20 0.35
PIK3CA P42336 7/20 0.35
HTR7 P34969 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
MAPK14 Q16539 1/20 0.35
GPR39 O43194 1/20 0.34
SLC2A1 P11166 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL2717781 0.86 PIK3CD (0.40) PIK3CDPIK3CGCASP6METAP2METAP1
SCHEMBL2720072 0.81 PIK3CD (0.65) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2717715 0.79 PIK3CD (0.44) PIK3CDPIK3CGCASP6MAP4K4METAP2
SCHEMBL2717418 0.79 CBFB (0.44) PIK3CDPIK3CGCASP6METAP2METAP1
SCHEMBL2717526 0.77 PIK3CD (0.67) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2717145 0.76 CBFB (0.44) PIK3CDPIK3CGCASP6METAP2METAP1
SCHEMBL2717477 0.76 CBFB (0.44) PIK3CDPIK3CGCASP6METAP2METAP1
SCHEMBL2718969 0.76 PIK3CD (0.53) PIK3CDPIK3CGCASP6PIK3CBPIK3CA
SCHEMBL3805286 0.74 METAP2 (0.46) PIK3CDPIK3CGCASP6METAP2METAP1
SCHEMBL2717695 0.72 CBFB (0.44) PIK3CDPIK3CGCASP6METAP2METAP1

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