SCHEMBL17119856

SCHEMBL17119856

C=Cc1nc(SC)nc(C)c1I

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.33
HSP90AB1 P08238 1/20 0.31

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
SCHEMBL13304562 0.79 HSP90AB1 (0.41) LMNAL3MBTL1PKMHSP90AB1
SCHEMBL25590520 0.75
SCHEMBL17119866 0.75 CYP1A2 (0.36)
SCHEMBL23141972 0.69 HSP90AB1 (0.43) PKMHSP90AB1
SCHEMBL1920514 0.69 PKM (0.35) PKMHSP90AB1
SCHEMBL1935371 0.69 KMT2A (0.36) PKMHSP90AB1
SCHEMBL30718870 0.69 HSP90AB1 (0.43) PKMHSP90AB1
SCHEMBL15256028 0.68 MEN1 (0.34) LMNA
SCHEMBL13931366 0.67 HSP90AB1 (0.36) HSP90AB1
SCHEMBL13283451 0.65 KMT2A (0.40) LMNAPKMHSP90AB1

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-2536410-B1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME (US) 2015-09-23 EP disclosed