SCHEMBL212050

SCHEMBL212050

CC(OC(=O)Nc1cc2cc(F)ccc2cn1)[C@H](CCC(=O)O)N(C)C(=O)NCc1cccc(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.38
MAPK1 P28482 1/20 0.33
RPS6KA1 Q15418 1/20 0.33
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
MET P08581 1/20 0.32
CTSK P43235 1/20 0.32
DYRK1A Q13627 2/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
GSK3B P49841 1/20 0.31
MAP4K1 Q92918 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
SCHEMBL211523 0.93 CTSK (0.38) ABL1MAPK1METCTSKALDH1A1
SCHEMBL2840754 0.93 CTSK (0.38) ABL1MAPK1METCTSKALDH1A1
SCHEMBL210584 0.93 ABL1 (0.37) ABL1MAPK1RPS6KA1CARM1PRMT6
SCHEMBL2843927 0.93 ABL1 (0.37) ABL1MAPK1RPS6KA1CARM1PRMT6
SCHEMBL209967 0.86 CTSK (0.37) ABL1MAPK1CTSKALDH1A1RAB9A
SCHEMBL211681 0.86 ABL1 (0.34) ABL1MAPK1RPS6KA1METCTSK
SCHEMBL210177 0.84 ABL1 (0.35) ABL1MAPK1RPS6KA1CTSK
SCHEMBL212747 0.83 ABL1 (0.33) ABL1MAPK1RPS6KA1METCTSK
SCHEMBL212350 0.81 MAOB (0.35) CTSKRAB9A
SCHEMBL4343074 0.80 ABL1 (0.34) ABL1MAPK1RPS6KA1METCTSK

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