SCHEMBL212784

SCHEMBL212784

CN(C(=O)NCc1cccc(F)c1Cl)[C@H](COC(=O)Nc1cc2ccccc2cn1)C[C@H](O)COP(=O)(O)O.[NaH]

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.34
NOTUM Q6P988 1/20 0.32
WNT1 P04628 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 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
SCHEMBL210015 0.99 PIN1 (0.34) PIN1NOTUMWNT1GSK3BDYRK1A
SCHEMBL2725507 0.99 PIN1 (0.34) PIN1NOTUMWNT1GSK3BDYRK1A
SCHEMBL211937 0.99 PIN1 (0.34) PIN1NOTUMWNT1GSK3BDYRK1A
SCHEMBL211504 0.99 PIN1 (0.34) PIN1NOTUMWNT1GSK3BDYRK1A
SCHEMBL210362 0.99 PIN1 (0.34) PIN1NOTUMWNT1GSK3BDYRK1A
SCHEMBL211938 0.99 PIN1 (0.34) PIN1NOTUMWNT1GSK3BDYRK1A
SCHEMBL211321 0.99 PIN1 (0.34) PIN1NOTUMWNT1GSK3BDYRK1A
SCHEMBL2837941 0.94 NOTUM (0.33) NOTUMWNT1GSK3BDYRK1ACTSK
SCHEMBL212135 0.94 ABL1 (0.31) PIN1WNT1GSK3BDYRK1A
SCHEMBL211557 0.94 ABL1 (0.31) PIN1WNT1GSK3BDYRK1A

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