SCHEMBL19488274

SCHEMBL19488274

C[Si](C)(C)C#Cc1ccc2[nH]c([C@@H]3CCCN3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.51
PARP1 P09874 5/20 0.39
CDC7 O00311 9/20 0.36
CCNE1 P24864 5/20 0.36
CDK2 P24941 5/20 0.36
ROCK1 Q13464 5/20 0.36
DBF4 Q9UBU7 5/20 0.36
PIM1 P11309 4/20 0.36
CSNK2B P67870 4/20 0.36
CSNK2A1 P68400 4/20 0.36
DYRK1A Q13627 3/20 0.35
CIT O14578 1/20 0.35
CYP1A2 P05177 1/20 0.35
CSNK2A2 P19784 1/20 0.35
GSK3B P49841 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
TAOK3 Q9H2K8 1/20 0.35
CCNC P24863 2/20 0.34
CDK8 P49336 2/20 0.34
CLK1 P49759 2/20 0.34

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
SCHEMBL12423427 0.90 SCN10A (0.54) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL12798759 0.83 SCN10A (0.52) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL24463096 0.82 NPC1 (0.42)
SCHEMBL12943567 0.79 SCN10A (0.48) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL12684295 0.78 SCN10A (0.59) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL19488467 0.78 SCN10A (0.59) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL12509313 0.78 SCN10A (0.58) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL16938792 0.77 SCN10A (0.43) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL9605019 0.77 SCN10A (0.56) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL1645792 0.77 SCN10A (0.56) SCN10APARP1CDC7CCNE1CDK2

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
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed