SCHEMBL22748995

SCHEMBL22748995

Nc1ncnc2c1c(I)nn2N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK3 O43781 3/20 0.51
▸ RPS6KB1 P23443 3/20 0.51
▸ CSNK1A1 P48729 3/20 0.51
▸ CSNK1D P48730 3/20 0.51
▸ CLK2 P49760 3/20 0.51
▸ IRAK1 P51617 3/20 0.51
▸ DYRK1A Q13627 3/20 0.51
▸ SLK Q9H2G2 3/20 0.51
▸ CLK4 Q9HAZ1 3/20 0.51
▸ CDK1 P06493 2/20 0.51
▸ ROS1 P08922 2/20 0.51
▸ CDK2 P24941 2/20 0.51
▸ CDK5 Q00535 2/20 0.51
▸ NTRK3 Q16288 2/20 0.51
▸ JAK2 O60674 2/20 0.51
▸ SRC P12931 2/20 0.51
▸ PRKD3 O94806 2/20 0.51
▸ MAP4K4 O95819 2/20 0.51
▸ PRKACA P17612 2/20 0.51
▸ MARK3 P27448 2/20 0.51

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
SCHEMBL13218401 0.79 SRC (0.50) DYRK3RPS6KB1CSNK1A1CSNK1DCLK2
SCHEMBL130592 0.79 SRC (0.50) DYRK3RPS6KB1CSNK1A1CSNK1DCLK2
SCHEMBL23057484 0.78 EGFR (0.42) RPS6KB1CSNK1A1CSNK1DCLK2DYRK1A
SCHEMBL868744 0.75 PIK3CD (0.51) DYRK3RPS6KB1CSNK1A1CSNK1DCLK2
SCHEMBL868687 0.75 ABL1 (0.58) SRCRETKDREGFRPIK3CG
SCHEMBL15471369 0.75 SRC (0.58) RPS6KB1CSNK1A1CSNK1DCLK2SLK
SCHEMBL24096480 0.74 JAK2 (0.86) DYRK3RPS6KB1CSNK1A1CSNK1DCLK2
SCHEMBL16701523 0.74 ADK (0.49) DYRK3RPS6KB1CSNK1A1CSNK1DCLK2
SCHEMBL401337 0.73 SRC (0.45) DYRK3RPS6KB1CSNK1A1CSNK1DCLK2
SCHEMBL868521 0.73 DYRK3 (0.51) DYRK3RPS6KB1CSNK1A1CSNK1DCLK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3980554-A1 HYBRIDIZING ALL-LNA OLIGONUCLEOTIDES F. Hoffmann-La Roche AG (CH) 2022-04-13 — — EP claimed
WO-2020245377-A1 HYBRIDIZING ALL-LNA OLIGONUCLEOTIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-12-10 — — WO claimed
EP-3138842-B1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON'S TYROSINE KINASE INHIBITORS ZHEJIANG DTRM BIOPHARMA CO LTD (CN) 2020-12-09 — — EP disclosed
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