SCHEMBL210285

SCHEMBL210285

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

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.31
CTSK P43235 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
SCHEMBL210281 1.00 ABL1 (0.32) ABL1EGFRCTSK
SCHEMBL212445 0.98 ABL1 (0.31) ABL1EGFRCTSK
SCHEMBL211575 0.98 ABL1 (0.31) ABL1EGFRCTSK
SCHEMBL211245 0.92 ABL1 (0.30) ABL1
SCHEMBL210105 0.92 ABL1 (0.30) ABL1
SCHEMBL211896 0.90
SCHEMBL210741 0.90
SCHEMBL2723368 0.89 EGFR (0.33) ABL1EGFRCTSK
SCHEMBL2723263 0.89 EGFR (0.33) ABL1EGFRCTSK
SCHEMBL211232 0.89 ABL1 (0.33) 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 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