SCHEMBL2836701

SCHEMBL2836701

CC(=O)N(NCc1ccccc1Cl)[C@@H](C)CON(C=O)c1cc2ccccc2cn1.CC(=O)N(NCc1ccccc1Cl)[C@@H](CCCO)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.33

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
SCHEMBL213340 0.89 CYP1A2 (0.33) CTSK
SCHEMBL212528 0.87 CYP1A2 (0.34)
SCHEMBL209816 0.85 NPC1 (0.34)
SCHEMBL214092 0.85 NPC1 (0.34)
SCHEMBL211007 0.85 NPC1 (0.33)
SCHEMBL210909 0.84 BRD4 (0.33)
SCHEMBL213515 0.82 CTSK (0.36) CTSK
SCHEMBL4353508 0.82 CTSK (0.37) CTSK
SCHEMBL212341 0.81 CTSK (0.37) CTSK
SCHEMBL211462 0.81 CTSK (0.36) CTSK

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
EP-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 WO disclosed