SCHEMBL211199

SCHEMBL211199

CN(C(=O)NCc1cccc(F)c1Cl)C(CCCNC(=O)CNC(=O)OC(C)(C)C)COC(=O)Nc1cc2cc(F)ccc2cn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.36
EGFR P00533 3/20 0.34
ITK Q08881 3/20 0.34
AURKB Q96GD4 1/20 0.33
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
STK17B O94768 1/20 0.31
STK17A Q9UEE5 1/20 0.31
CDK9 P50750 1/20 0.31
ABL1 P00519 2/20 0.30
CCNT1 O60563 1/20 0.30
ANO1 Q5XXA6 1/20 0.30
PTGES O14684 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
SCHEMBL211198 1.00 MET (0.36) METEGFRITKAURKBGSK3B
SCHEMBL210544 0.96 ITK (0.37) METEGFRITKGSK3BDYRK1A
SCHEMBL210474 0.92 MET (0.36) METEGFRITKAURKBGSK3B
SCHEMBL210473 0.92 MET (0.36) METEGFRITKAURKBGSK3B
SCHEMBL210475 0.92 MET (0.36) METEGFRITKAURKBGSK3B
SCHEMBL209938 0.91 GSK3B (0.33) METEGFRITKGSK3BDYRK1A
SCHEMBL211555 0.90 ABL1 (0.31) ABL1
SCHEMBL213551 0.90 ITK (0.34) METEGFRITKGSK3BDYRK1A
SCHEMBL2723148 0.90 ABL1 (0.37) EGFRCDK9ABL1CCNT1
SCHEMBL213607 0.90 CARM1 (0.35) ABL1

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