SCHEMBL210584

SCHEMBL210584

CC(OC(=O)Nc1cc2cc(F)ccc2cn1)[C@H](CCC(=O)O)N(C)C(=O)NCc1cccc(F)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.37
MAPK1 P28482 1/20 0.32
RPS6KA1 Q15418 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
CTSK P43235 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
DYRK1A Q13627 2/20 0.30
P2RX7 Q99572 1/20 0.30
GSK3B P49841 1/20 0.30

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
SCHEMBL2843927 1.00 ABL1 (0.37) ABL1MAPK1RPS6KA1TDP1CARM1
SCHEMBL209967 0.94 CTSK (0.37) ABL1MAPK1TDP1CTSKP2RX7
SCHEMBL212050 0.93 ABL1 (0.38) ABL1MAPK1RPS6KA1CARM1PRMT6
SCHEMBL210177 0.92 ABL1 (0.35) ABL1MAPK1RPS6KA1CTSKRXRA
SCHEMBL215006 0.86 ABL1 (0.33) ABL1MAPK1RPS6KA1CTSKDYRK1A
SCHEMBL212530 0.86 ABL1 (0.33) ABL1MAPK1RPS6KA1CTSKDYRK1A
SCHEMBL2840754 0.86 CTSK (0.38) ABL1MAPK1TDP1CTSKP2RX7
SCHEMBL211523 0.86 CTSK (0.38) ABL1MAPK1TDP1CTSKP2RX7
SCHEMBL2839491 0.83 ABL1 (0.38) ABL1MAPK1RPS6KA1TDP1CARM1
SCHEMBL210875 0.82 ABL1 (0.39) ABL1MAPK1RPS6KA1TDP1CTSK

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