SCHEMBL4774341

SCHEMBL4774341

Cc1cccc(N=C2NC(=O)C(=Cc3cccc4cccnc34)S2)c1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.64
NPSR1 Q6W5P4 5/20 0.64
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
MAPK1 P28482 2/20 0.57
GRK6 P43250 1/20 0.56
DYRK3 O43781 3/20 0.51
POLB P06746 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
USP2 O75604 2/20 0.49
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
BLM P54132 1/20 0.49
MCL1 Q07820 1/20 0.49
TDP1 Q9NUW8 1/20 0.46
RECQL P46063 1/20 0.46
RNASEL Q05823 1/20 0.44
CISD1 Q9NZ45 1/20 0.44

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
SCHEMBL4772304 0.85 DYRK3 (0.68) MAPTNPSR1MEN1KMT2ADYRK3
SCHEMBL4772766 0.84 DYRK3 (0.69) NPSR1MEN1KMT2ADYRK3POLB
SCHEMBL4770970 0.84 DYRK3 (0.52) MAPTNPSR1MEN1KMT2ADYRK3
SCHEMBL4770141 0.84 MEN1 (0.56) MAPTNPSR1MEN1KMT2ADYRK3
SCHEMBL4775749 0.84 MEN1 (0.48) MAPTNPSR1MEN1KMT2AMAPK1
SCHEMBL13196738 0.83 DYRK3 (0.74) MAPTNPSR1MEN1KMT2AMAPK1
SCHEMBL2788706 0.83 DYRK3 (0.74) MAPTNPSR1MEN1KMT2AMAPK1
SCHEMBL2788708 0.83 DYRK3 (0.74) MAPTNPSR1MEN1KMT2AMAPK1
SCHEMBL4770725 0.82 DYRK3 (0.51) MAPTNPSR1MEN1KMT2ADYRK3
SCHEMBL4771030 0.82 DYRK3 (0.53) MAPTNPSR1MEN1KMT2ADYRK3

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-1567112-B1 THIAZOLIDIN-4-ONES FOR INHIBITING hYAK3 PROTEINS SMITHKLINE BEECHAM CORP (US) 2008-10-15 EP claimed