SCHEMBL13087671

SCHEMBL13087671

CC1CN[C@H](c2nc3ccc4cc(C#Cc5ccc(-c6cnc([C@@H]7CC8CC8N7)[nH]6)cc5)ccc4c3[nH]2)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
ROCK1 Q13464 2/20 0.33
DBF4 Q9UBU7 2/20 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
SCHEMBL12327980 0.82 SSTR3 (0.33)
SCHEMBL13087621 0.81
SCHEMBL17253532 0.79
SCHEMBL19701044 0.79
SCHEMBL19578473 0.79 MAPK13 (0.37) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL19388257 0.79 MAPK13 (0.37) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL15457675 0.79 MAPK13 (0.37) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL13221451 0.79 SSTR3 (0.34)
SCHEMBL10202377 0.79 SSTR3 (0.34)
SCHEMBL17948121 0.79 PYGL (0.33) CDC7CCNE1CDK2ROCK1DBF4

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-2414350-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-12 EP disclosed
WO-2010117635-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-14 WO disclosed