SCHEMBL14335162

SCHEMBL14335162

Nc1cccnc1O[C@@H]1CCN(C(=O)C2CCOCC2)C1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 12/20 0.50
▸ PIK3CA P42336 11/20 0.50
▸ PIK3R1 P27986 1/20 0.47
▸ PIK3CB P42338 1/20 0.47
▸ PIK3CG P48736 1/20 0.47

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
SCHEMBL14335160 0.87 PIK3CD (0.47) PIK3CDPIK3CAPIK3R1
SCHEMBL14334929 0.79 KDM5A (0.40) —
SCHEMBL14334914 0.79 NAMPT (0.45) PIK3CDPIK3CA
SCHEMBL14377360 0.77 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14334113 0.77 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29445482 0.77 GRM4 (0.53) —
SCHEMBL1936639 0.77 GRM4 (0.53) —
SCHEMBL14334122 0.77 — —
SCHEMBL31234741 0.76 NAMPT (0.44) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14334240 0.75 CYP4A11 (0.49) —

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
WO-2012176123-A1 3 - IMIDAZOLYL- INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2012-12-27 — — WO disclosed
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