SCHEMBL20018386

SCHEMBL20018386

Brc1nc(C2CCN2)[nH]c1Br

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.36
▸ CDC7 O00311 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ DBF4 Q9UBU7 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
SCHEMBL16405084 0.86 SCN10A (0.41) PARP1CDC7CCNE1CDK2ROCK1
SCHEMBL16405115 0.86 SCN10A (0.41) PARP1CDC7CCNE1CDK2ROCK1
SCHEMBL1494644 0.72 KDM4E (0.35) —
SCHEMBL12294943 0.72 KDM4E (0.39) —
SCHEMBL5950039 0.63 CDC7 (0.44) PARP1CDC7ROCK1DBF4
SCHEMBL17464840 0.60 CDC7 (0.31) PARP1CDC7CCNE1CDK2ROCK1
SCHEMBL69879 0.58 — —
SCHEMBL18815650 0.55 SCN10A (0.44) PARP1CDC7CCNE1CDK2ROCK1
SCHEMBL18815648 0.55 SCN10A (0.44) PARP1CDC7CCNE1CDK2ROCK1
SCHEMBL18870909 0.55 SCN10A (0.44) PARP1CDC7CCNE1CDK2ROCK1

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-2621279-B1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-04-04 — — EP disclosed
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