SCHEMBL17656211

SCHEMBL17656211

c1cc2nc([C@@H]3CCCN3)[nH]c2cc1-c1ccc(-c2ccc3nc([C@@H]4CCCN4)[nH]c3c2)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 2/20 0.65
▸ PARP1 P09874 5/20 0.42
▸ CDC7 O00311 8/20 0.41
▸ CCNE1 P24864 8/20 0.41
▸ CDK2 P24941 8/20 0.41
▸ ROCK1 Q13464 8/20 0.41
▸ DBF4 Q9UBU7 8/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ AAK1 Q2M2I8 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.39
▸ CCNC P24863 2/20 0.38
▸ CDK8 P49336 2/20 0.38
▸ CLK1 P49759 2/20 0.38
▸ DAPK1 P53355 2/20 0.38
▸ DMPK Q09013 2/20 0.38
▸ DYRK1A Q13627 2/20 0.38

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
SCHEMBL12053448 0.89 SCN10A (0.67) SCN10APARP1NPC1RAB9AAAK1
SCHEMBL17656273 0.89 SCN10A (0.54) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL16907913 0.86 SCN10A (0.64) SCN10APARP1NPC1RAB9AAAK1
SCHEMBL1293368 0.86 SCN10A (0.64) SCN10APARP1NPC1RAB9AAAK1
SCHEMBL1293364 0.86 SCN10A (0.64) SCN10APARP1NPC1RAB9AAAK1
SCHEMBL12798837 0.85 SCN10A (0.63) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL1293406 0.85 SCN10A (0.63) SCN10APARP1NPC1RAB9AAAK1
SCHEMBL1293405 0.85 SCN10A (0.63) SCN10APARP1NPC1RAB9AAAK1
SCHEMBL19385241 0.84 SCN10A (0.62) SCN10APARP1AAK1USP30
SCHEMBL19385240 0.84 SCN10A (0.62) SCN10APARP1AAK1USP30

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-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 — — EP disclosed
EP-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 — — EP disclosed
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