SCHEMBL5679676

SCHEMBL5679676

FC(F)(F)c1ccc2[nH]c(NC3CC3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.46
▸ DYRK1A Q13627 1/20 0.45
▸ DYRK1B Q9Y463 1/20 0.45
▸ PDE2A O00408 3/20 0.44
▸ MAPK1 P28482 1/20 0.41
▸ LPAR2 Q9HBW0 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ PHGDH O43175 1/20 0.39
▸ IDH2 P48735 1/20 0.39
▸ KCNH2 Q12809 2/20 0.38
▸ MALT1 Q9UDY8 1/20 0.38

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
SCHEMBL32680214 0.79 DYRK1A (0.49) DYRK1ADYRK1BLPAR2MTORKCNH2
SCHEMBL15246748 0.79 DYRK1A (0.49) DYRK1ADYRK1BLPAR2MTORKCNH2
SCHEMBL5681358 0.79 DYRK1A (0.49) DYRK1ADYRK1BPDE2ALPAR2MTOR
SCHEMBL11783648 0.78 DYRK1A (0.48) DYRK1ADYRK1BLPAR2MTORPHGDH
SCHEMBL5681137 0.75 DYRK1A (0.46) DYRK1ADYRK1BLPAR2MTORKCNH2
SCHEMBL5679513 0.75 DYRK1A (0.46) RIPK1DYRK1ADYRK1BLPAR2MTOR
SCHEMBL5683328 0.75 NPY5R (0.48) PDE2AKCNH2
SCHEMBL28406604 0.73 HDAC6 (0.57) RIPK1KCNH2
SCHEMBL16291398 0.73 DYRK1A (0.80) DYRK1ADYRK1BMTORKCNH2
SCHEMBL11789066 0.73 MTOR (0.47) DYRK1ADYRK1BLPAR2MTORPHGDH

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-1620413-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-02-01 — — EP disclosed
WO-2004098494-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2004-11-18 — — WO disclosed
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