SCHEMBL2720107

SCHEMBL2720107

CCNC(=O)c1c(-c2ccccn2)c(CCN)nc2ccc(F)cc12

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.57
PIK3CB P42338 10/20 0.57
PIK3CG P48736 10/20 0.57
PIK3CA P42336 9/20 0.57
PDE10A Q9Y233 2/20 0.42
DHODH Q02127 3/20 0.40
ALDH1A1 P00352 1/20 0.40
PDE2A O00408 1/20 0.39
CYP2D6 P10635 1/20 0.39
PLA2G2A P14555 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL2720602 0.90 PIK3CD (0.53) PIK3CDPIK3CBPIK3CGPIK3CAPDE10A
SCHEMBL2718187 0.90 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CAPDE10A
SCHEMBL2717088 0.88 PIK3CD (0.54) PIK3CDPIK3CBPIK3CGPIK3CAPDE10A
SCHEMBL2717207 0.85 SMYD3 (0.44) PIK3CDPIK3CBPIK3CGPIK3CAALDH1A1
SCHEMBL2717642 0.84 PIK3CD (0.49) PIK3CDPIK3CBPIK3CGPIK3CAPDE10A
SCHEMBL3776243 0.83 PIK3CD (0.68) PIK3CDPIK3CBPIK3CGPIK3CACYP2D6
SCHEMBL2720104 0.83 PIK3CD (0.68) PIK3CDPIK3CBPIK3CGPIK3CACYP2D6
SCHEMBL6121716 0.80 CBFB (0.44) PIK3CDPIK3CBPIK3CGPIK3CAALDH1A1
SCHEMBL2717536 0.79 PDE10A (0.48) PIK3CDPIK3CBPIK3CGPIK3CAPDE10A
SCHEMBL6122848 0.79 ALDH1A1 (0.44) PIK3CDPIK3CBPIK3CGPIK3CAPDE10A

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