SCHEMBL212409

SCHEMBL212409

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

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 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
SCHEMBL213879 0.92 ABL1 (0.31) ABL1
SCHEMBL212248 0.92 ABL1 (0.31) ABL1
SCHEMBL210106 0.91 ABL1 (0.30) ABL1
SCHEMBL211897 0.91 ABL1 (0.30) ABL1
SCHEMBL211246 0.91 ABL1 (0.30) ABL1
SCHEMBL210742 0.91 ABL1 (0.30) ABL1
SCHEMBL15808636 0.91 ABL1 (0.31) ABL1
SCHEMBL211451 0.91 ABL1 (0.32) ABL1
SCHEMBL212355 0.91 ABL1 (0.32) ABL1
SCHEMBL210130 0.91 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