SCHEMBL13838415

SCHEMBL13838415

Bc1cncc(C(=O)Nc2ccc(-c3cc(-c4cnn(C)c4)ccc3Cl)cn2)c1C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 14/20 0.46
▸ WNT1 P04628 9/20 0.46
▸ GSK3B P49841 10/20 0.44
▸ AXL P30530 1/20 0.42
▸ MERTK Q12866 1/20 0.42
▸ CLK2 P49760 2/20 0.42
▸ CLK3 P49761 2/20 0.42
▸ IKBKE Q14164 1/20 0.41
▸ TBK1 Q9UHD2 1/20 0.41
▸ EP300 Q09472 3/20 0.41
▸ ABL1 P00519 1/20 0.41

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
SCHEMBL13838324 0.91 DYRK1A (0.47) DYRK1AWNT1GSK3BAXLMERTK
SCHEMBL13838354 0.89 DYRK1A (0.46) DYRK1AWNT1GSK3BAXLMERTK
SCHEMBL13838356 0.89 DYRK1A (0.46) DYRK1AWNT1GSK3BAXLMERTK
SCHEMBL13728453 0.87 EP300 (0.44) DYRK1AWNT1GSK3BEP300
SCHEMBL13838400 0.85 DYRK1A (0.50) DYRK1AWNT1GSK3BAXLMERTK
SCHEMBL13838355 0.82 DYRK1A (0.46) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL13838430 0.81 DYRK1A (0.45) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL13838556 0.80 IL2 (0.44) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL13838532 0.80 DYRK1A (0.44) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL13727775 0.79 DYRK1A (0.43) DYRK1AWNT1GSK3BCLK2CLK3

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
WO-2012151355-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-11-08 — — WO disclosed
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