SCHEMBL212054

SCHEMBL212054

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 6/20 0.38
CSNK2A1 P68400 6/20 0.38
KDM4E B2RXH2 5/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 3/20 0.34
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
USP2 O75604 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL211215 0.94 CSNK2A2 (0.39) CSNK2A2CSNK2A1KDM4EHDAC1HDAC2
SCHEMBL211918 0.94 RXFP1 (0.40) CSNK2A2CSNK2A1KDM4EHDAC1HDAC2
SCHEMBL212406 0.94 CSNK2A2 (0.41) CSNK2A2CSNK2A1KDM4EHDAC1HDAC2
SCHEMBL211534 0.94 CSNK2A2 (0.40) CSNK2A2CSNK2A1KDM4ERAB9AALDH1A1
SCHEMBL212239 0.93 CSNK2A2 (0.38) CSNK2A2CSNK2A1KDM4EHDAC1HDAC2
SCHEMBL213263 0.93 KDM4E (0.45) CSNK2A2CSNK2A1KDM4EHDAC1HDAC2
SCHEMBL211530 0.91 CSNK2A2 (0.37) CSNK2A2CSNK2A1KDM4ERAB9AALDH1A1
SCHEMBL213354 0.91 KDM4E (0.43) CSNK2A2CSNK2A1KDM4ERAB9AALDH1A1
SCHEMBL213581 0.88 CSNK2A2 (0.42) CSNK2A2CSNK2A1KDM4EHDAC1HDAC2
SCHEMBL211757 0.88 CSNK2A2 (0.41) CSNK2A2CSNK2A1KDM4ERAB9AALDH1A1

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