SCHEMBL14334914

SCHEMBL14334914

CC(C)C(=O)N1CC[C@@H](Oc2ncccc2N)C1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.45
▸ PIK3CD O00329 4/20 0.44
▸ PIK3CA P42336 2/20 0.43
▸ HMOX1 P09601 1/20 0.43
▸ KDM5A P29375 1/20 0.42
▸ GPR119 Q8TDV5 1/20 0.42

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
SCHEMBL14334913 0.86 ROCK2 (0.48) NAMPTHMOX1
SCHEMBL14334929 0.86 KDM5A (0.40) KDM5AGPR119
SCHEMBL14334113 0.82 PIK3CD (0.55) PIK3CDPIK3CAGPR119
SCHEMBL14377360 0.82 PIK3CD (0.55) PIK3CDPIK3CAGPR119
SCHEMBL14334122 0.82 — —
SCHEMBL14334240 0.80 CYP4A11 (0.49) NAMPT
SCHEMBL14335162 0.79 PIK3CD (0.50) PIK3CDPIK3CA
SCHEMBL1936648 0.77 GRM4 (0.38) —
SCHEMBL14335009 0.77 GPR119 (0.54) PIK3CDGPR119
SCHEMBL14334436 0.76 PIK3CD (0.48) PIK3CDPIK3CAGPR119

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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