SCHEMBL2720117

SCHEMBL2720117

CN(C)c1c(-c2ccccn2)c(CCNc2ncnc(N)c2C#N)nc2ccc(F)cc12

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.69
PIK3CG P48736 19/20 0.69
PIK3CB P42338 18/20 0.69
PIK3CA P42336 17/20 0.69
CYP2D6 P10635 1/20 0.47
CYP3A4 P08684 1/20 0.46

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
SCHEMBL2718941 0.90 PIK3CD (0.65) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6
SCHEMBL6122150 0.90 PIK3CD (0.65) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6
SCHEMBL2717460 0.87 PIK3CD (0.61) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6
SCHEMBL2718262 0.85 PIK3CD (0.59) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6
SCHEMBL6122232 0.85 PIK3CD (0.70) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6
SCHEMBL2717648 0.85 PIK3CD (0.58) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6
SCHEMBL2717998 0.84 PIK3CD (0.70) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6
SCHEMBL2718949 0.84 PIK3CD (0.58) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6
SCHEMBL2719563 0.84 PIK3CD (0.56) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6
SCHEMBL2719546 0.83 PIK3CD (0.70) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6

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