SCHEMBL2839632

SCHEMBL2839632

CN(Cc1cccc(F)c1F)[C@H](CCCO)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.37
NOTUM Q6P988 1/20 0.36
ABL1 P00519 9/20 0.34
PIN1 Q13526 1/20 0.33
MTOR P42345 1/20 0.32
RIPK1 Q13546 1/20 0.32
GCK P35557 2/20 0.32
WNT3A P56704 1/20 0.32
MAP3K7 O43318 1/20 0.31
MAP3K6 O95382 1/20 0.31
MAP3K5 Q99683 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
SCHEMBL2728833 1.00 CTSK (0.37) CTSKNOTUMABL1PIN1MTOR
SCHEMBL2839634 1.00 CTSK (0.37) CTSKNOTUMABL1PIN1MTOR
SCHEMBL9606738 0.90 CTSK (0.34) CTSKNOTUMABL1PIN1MTOR
SCHEMBL2840966 0.90 PIN1 (0.36) CTSKNOTUMABL1PIN1MTOR
SCHEMBL2840973 0.89 PIN1 (0.40) CTSKNOTUMABL1PIN1MTOR
SCHEMBL2729920 0.89 PIN1 (0.40) CTSKNOTUMABL1PIN1MTOR
SCHEMBL2844956 0.88 NOTUM (0.37) CTSKNOTUMABL1PIN1MTOR
SCHEMBL2727999 0.88 NOTUM (0.37) CTSKNOTUMABL1PIN1MTOR
SCHEMBL2844950 0.88 NOTUM (0.37) CTSKNOTUMABL1PIN1MTOR
SCHEMBL2845097 0.88 NOTUM (0.37) CTSKNOTUMABL1PIN1MTOR

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