SCHEMBL213879

SCHEMBL213879

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

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.31

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
SCHEMBL212248 1.00 ABL1 (0.31) ABL1
SCHEMBL212409 0.92 ABL1 (0.30) ABL1
SCHEMBL210282 0.92 ABL1 (0.32) ABL1
SCHEMBL210286 0.92 ABL1 (0.32) ABL1
SCHEMBL211576 0.91 ABL1 (0.31) ABL1
SCHEMBL212446 0.91 ABL1 (0.31) ABL1
SCHEMBL2725236 0.89 EGFR (0.34) ABL1
SCHEMBL2724854 0.89 EGFR (0.34) ABL1
SCHEMBL211451 0.89 ABL1 (0.32) ABL1
SCHEMBL212355 0.89 ABL1 (0.32) 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