SCHEMBL549891

SCHEMBL549891

COc1ccc(-c2ccc(N3CCCC4(CCN([C@H]5CC[C@H](O)CC5)C4=O)C3)nc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
AURKB Q96GD4 2/20 0.39
PLK4 O00444 1/20 0.39
FLT3 P36888 1/20 0.39
MCHR1 Q99705 4/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
HSD11B1 P28845 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
PRKDC P78527 1/20 0.37

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
SCHEMBL2704265 1.00 PIK3CA (0.39) PIK3CADDB1CRBNAURKBPLK4
SCHEMBL2704270 1.00 PIK3CA (0.39) PIK3CADDB1CRBNAURKBPLK4
SCHEMBL551597 1.00 PIK3CA (0.39) PIK3CADDB1CRBNAURKBPLK4
SCHEMBL551598 1.00 PIK3CA (0.39) PIK3CADDB1CRBNAURKBPLK4
SCHEMBL549892 1.00 PIK3CA (0.39) PIK3CADDB1CRBNAURKBPLK4
SCHEMBL551857 0.91 PIK3CA (0.41) PIK3CADDB1CRBNHSD11B1
SCHEMBL550785 0.91 PIK3CA (0.41) PIK3CADDB1CRBNHSD11B1
SCHEMBL2700496 0.91 PIK3CA (0.41) PIK3CADDB1CRBNHSD11B1
SCHEMBL2699650 0.90 CYP1A2 (0.39) PIK3CAHCRTR1HCRTR2HSD11B1CYP1A2
SCHEMBL551157 0.90 CYP1A2 (0.39) PIK3CAHCRTR1HCRTR2HSD11B1CYP1A2

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
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US claimed