SCHEMBL212049

SCHEMBL212049

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 13/20 0.33
MAPK1 P28482 1/20 0.30
MET P08581 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
SCHEMBL211648 0.96 ABL1 (0.33) ABL1MET
SCHEMBL211680 0.93 ABL1 (0.34) ABL1MET
SCHEMBL211156 0.93 CTSK (0.34) ABL1MAPK1MET
SCHEMBL210583 0.93 ABL1 (0.33) ABL1
SCHEMBL4343070 0.92 ABL1 (0.34) ABL1MAPK1MET
SCHEMBL212746 0.91 ABL1 (0.33) ABL1MET
SCHEMBL4342530 0.90 ABL1 (0.35) ABL1
SCHEMBL211133 0.89 CTSK (0.35) ABL1MAPK1
SCHEMBL211083 0.89 CTSK (0.35) ABL1MAPK1
SCHEMBL4344351 0.88 ITGB3 (0.32) ABL1MET

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