SCHEMBL550971

SCHEMBL550971

O=C1N([C@H]2CC[C@H](O)CC2)CCC12CCCN(c1ccc(-c3cncnc3)cn1)C2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.39
HSD11B1 P28845 10/20 0.36
CRBN Q96SW2 4/20 0.35
DDB1 Q16531 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
HCRTR2 O43614 2/20 0.34
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 2/20 0.33
CDC42BPB Q9Y5S2 2/20 0.33
HCRTR1 O43613 1/20 0.33

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
SCHEMBL2700334 1.00 PIK3CA (0.39) PIK3CAHSD11B1CRBNDDB1EGLN1
SCHEMBL550972 1.00 PIK3CA (0.39) PIK3CAHSD11B1CRBNDDB1EGLN1
SCHEMBL550906 1.00 PIK3CA (0.39) PIK3CAHSD11B1CRBNDDB1EGLN1
SCHEMBL550907 1.00 PIK3CA (0.39) PIK3CAHSD11B1CRBNDDB1EGLN1
SCHEMBL2700330 1.00 PIK3CA (0.39) PIK3CAHSD11B1CRBNDDB1EGLN1
SCHEMBL550176 0.90 HCRTR2 (0.42) PIK3CAHSD11B1EGLN1HCRTR2HCRTR1
SCHEMBL551046 0.90 HCRTR2 (0.42) PIK3CAHSD11B1EGLN1HCRTR2HCRTR1
SCHEMBL2700944 0.90 HCRTR2 (0.42) PIK3CAHSD11B1EGLN1HCRTR2HCRTR1
SCHEMBL554434 0.90 HSD11B1 (0.45) PIK3CAHSD11B1CRBNDDB1HCRTR2
SCHEMBL551432 0.90 HSD11B1 (0.45) PIK3CAHSD11B1CRBNDDB1HCRTR2

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