SCHEMBL6221809

SCHEMBL6221809

O=C(Nc1ccncc1)c1n[nH]c2ccc(-c3cn[nH]c3)cc12.O=C(Nc1ccncc1)c1n[nH]c2ccc(-c3cncc4[nH]ccc34)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 17/20 0.50
WNT1 P04628 10/20 0.50
GSK3B P49841 2/20 0.50
CLK2 P49760 7/20 0.49
CLK3 P49761 6/20 0.49
IKBKE Q14164 1/20 0.46
TBK1 Q9UHD2 1/20 0.46
ROCK2 O75116 1/20 0.45
DYRK3 O43781 1/20 0.44
MAP4K4 O95819 1/20 0.44
CDK1 P06493 1/20 0.44
CDK2 P24941 1/20 0.44
MARK3 P27448 1/20 0.44
CSNK2A1 P68400 1/20 0.44
CSNK1G2 P78368 1/20 0.44
CDK5 Q00535 1/20 0.44
MAP4K2 Q12851 1/20 0.44
PRKAA1 Q13131 1/20 0.44
CAMK2B Q13554 1/20 0.44
CAMK2G Q13555 1/20 0.44

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
SCHEMBL81169 0.93 DYRK1A (0.45) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL951209 0.93 DYRK1A (0.54) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL952896 0.88 DYRK1A (0.62) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL4520160 0.85 DYRK1A (0.47) DYRK1AWNT1CLK2CLK3PIK3C3
SCHEMBL4523577 0.80 DYRK1A (0.54) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL82655 0.78 DYRK1A (0.70) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL5716625 0.77 DYRK1A (0.56) DYRK1AWNT1GSK3BCLK2CLK3
Hydrochloric Acid SCHEMBL951130 0.77 DYRK1A (0.55) DYRK1AWNT1GSK3BCLK2CLK3
Hydrochloric Acid SCHEMBL4529550 0.77 DYRK1A (0.55) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL955157 0.76 DYRK1A (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549620-A1 INDAZOLECARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF AS CDK1, CDK2 AND CDK4 INHIBITORS Sanofi-Aventis (FR) 2005-07-06 EP claimed
WO-2004031158-A1 INDAZOLECARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF AS CDK1, CDK2 AND CDK4 INHIBITORS SANOFI-AVENTIS (FR) 2004-04-15 WO claimed