SCHEMBL211530

SCHEMBL211530

COC(=O)CCC[C@@H](COC(=O)Nc1nnc(-c2ccc(C#N)cc2)s1)N(NCc1cccc(F)c1F)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 6/20 0.37
CSNK2A1 P68400 6/20 0.37
KDM4E B2RXH2 6/20 0.35
RAB9A P51151 2/20 0.35
HSD17B10 Q99714 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
BLM P54132 2/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
XIAP P98170 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL212086 0.94 CSNK2A2 (0.39) CSNK2A2CSNK2A1KDM4ERAB9AHSD17B10
SCHEMBL211215 0.92 CSNK2A2 (0.39) CSNK2A2CSNK2A1KDM4ERAB9AHSD17B10
SCHEMBL211918 0.92 RXFP1 (0.40) CSNK2A2CSNK2A1KDM4ERAB9AHSD17B10
SCHEMBL211534 0.92 CSNK2A2 (0.40) CSNK2A2CSNK2A1KDM4ERAB9AHSD17B10
SCHEMBL213263 0.91 KDM4E (0.45) CSNK2A2CSNK2A1KDM4ERAB9AHSD17B10
SCHEMBL212054 0.91 CSNK2A2 (0.38) CSNK2A2CSNK2A1KDM4ERAB9AHSD17B10
SCHEMBL212239 0.91 CSNK2A2 (0.38) CSNK2A2CSNK2A1KDM4ERAB9AHSD17B10
SCHEMBL213354 0.89 KDM4E (0.43) CSNK2A2CSNK2A1KDM4ERAB9AHSD17B10
SCHEMBL2725376 0.88 CSNK2A2 (0.37) CSNK2A2CSNK2A1KDM4ERAB9AHSD17B10
SCHEMBL213581 0.86 CSNK2A2 (0.42) CSNK2A2CSNK2A1KDM4ERAB9AHSD17B10

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
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed