SCHEMBL5681878

SCHEMBL5681878

FC(F)(F)c1ccc2[nH]c(NCC3CCOC3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ PIM1 P11309 3/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ DYRK1A Q13627 1/20 0.37
▸ DYRK1B Q9Y463 1/20 0.37
▸ GRM4 Q14833 2/20 0.36
▸ SCN8A Q9UQD0 1/20 0.36
▸ RIPK2 O43353 1/20 0.36
▸ MCHR1 Q99705 1/20 0.35
▸ GLS O94925 1/20 0.35
▸ TRPC5 Q9UL62 1/20 0.35
▸ LIPC P11150 1/20 0.35
▸ LIPG Q9Y5X9 1/20 0.35
▸ LPAR2 Q9HBW0 1/20 0.35
▸ CSF1R P07333 1/20 0.35

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
SCHEMBL5679812 0.80 MEN1 (0.51) PDE3BPDE3A
SCHEMBL3699142 0.75 CYP1A2 (0.43) PIM1PIM2RIPK2CSF1R
SCHEMBL5679513 0.74 DYRK1A (0.46) DYRK1ADYRK1BTRPC5LPAR2
SCHEMBL5679762 0.73 RAB9A (0.45) DYRK1ADYRK1BLPAR2
SCHEMBL5679676 0.73 RIPK1 (0.46) DYRK1ADYRK1BLPAR2
SCHEMBL14521682 0.70 RAB9A (0.63) DYRK1ADYRK1B
SCHEMBL15246748 0.70 DYRK1A (0.49) DYRK1ADYRK1BLPAR2
SCHEMBL32680214 0.70 DYRK1A (0.49) DYRK1ADYRK1BLPAR2
SCHEMBL5681358 0.70 DYRK1A (0.49) DYRK1ADYRK1BLPAR2
SCHEMBL21035092 0.69 IDO1 (0.57) IDO1

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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