SCHEMBL210583

SCHEMBL210583

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.33
P2RX4 Q99571 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL210176 0.94 ABL1 (0.33) ABL1P2RX4PIK3C3
SCHEMBL212529 0.94 ABL1 (0.33) ABL1P2RX4PIK3C3
SCHEMBL209966 0.94 CTSK (0.34) ABL1P2RX4TDP1
SCHEMBL212049 0.93 ABL1 (0.33) ABL1
SCHEMBL4341222 0.92 ABL1 (0.34) ABL1P2RX4PIK3C3
SCHEMBL213676 0.92 ABL1 (0.31) ABL1P2RX4PIK3C3
SCHEMBL213942 0.90 ABL1 (0.34) ABL1P2RX4
SCHEMBL210973 0.90 P2RX4 (0.32) ABL1P2RX4
SCHEMBL210546 0.89 CTSK (0.34) ABL1P2RX4TDP1
SCHEMBL209633 0.89 ABL1 (0.34) ABL1P2RX4

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