SCHEMBL2839420

SCHEMBL2839420

CCCC(C(OC(=O)Nc1cc2ccccc2cn1)OP(=O)(O)O)N(C)Cc1cccc(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.38
PIN1 Q13526 2/20 0.36
NOTUM Q6P988 1/20 0.35
RIPK1 Q13546 1/20 0.33
ABL1 P00519 6/20 0.33
DYRK1A Q13627 3/20 0.32
GSK3B P49841 2/20 0.32
WNT1 P04628 1/20 0.32
MTOR P42345 1/20 0.32
GCK P35557 2/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
NTRK1 P04629 1/20 0.30
TRPM8 Q7Z2W7 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
SCHEMBL2840973 0.76 PIN1 (0.40) CTSKPIN1NOTUMRIPK1ABL1
SCHEMBL2729920 0.76 PIN1 (0.40) CTSKPIN1NOTUMRIPK1ABL1
SCHEMBL2841496 0.75 CTSK (0.36) CTSKPIN1NOTUMABL1DYRK1A
SCHEMBL2730660 0.75 PIN1 (0.42) CTSKPIN1NOTUMRIPK1ABL1
SCHEMBL2842131 0.75 PIN1 (0.42) CTSKPIN1NOTUMRIPK1ABL1
SCHEMBL2728040 0.75 PIN1 (0.42) CTSKPIN1NOTUMRIPK1ABL1
SCHEMBL2839982 0.74 CTSK (0.37) CTSKNOTUMRIPK1ABL1DYRK1A
SCHEMBL2840966 0.74 PIN1 (0.36) CTSKPIN1NOTUMABL1DYRK1A
SCHEMBL2839632 0.74 CTSK (0.37) CTSKPIN1NOTUMRIPK1ABL1
SCHEMBL2839634 0.74 CTSK (0.37) CTSKPIN1NOTUMRIPK1ABL1

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