SCHEMBL19488489

SCHEMBL19488489

C#Cc1ccc2c(ccc3nc([C@@H]4C[C@H](C)CN4)[nH]c32)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
ROCK1 Q13464 2/20 0.38
DBF4 Q9UBU7 2/20 0.38
SCN10A Q9Y5Y9 1/20 0.35
TYMS P04818 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
SCHEMBL10200249 0.85 SCN10A (0.37) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL19488529 0.83 CDC7 (0.40) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL12373613 0.81 TYMS (0.33) TYMS
SCHEMBL10200243 0.80 SCN10A (0.45) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL12373600 0.79 TYMS (0.33) TYMS
SCHEMBL10200241 0.79 TYMS (0.33) TYMS
SCHEMBL19488788 0.78 TYMS (0.32) TYMS
SCHEMBL19488785 0.77 TYMS (0.31) TYMS
SCHEMBL13087671 0.74 CDC7 (0.33) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL10201148 0.70 GABRG2 (0.35)

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