SCHEMBL4520160

SCHEMBL4520160

O=C(Nc1ccncc1)c1n[nH]c2ccc(-c3cncc4[nH]ccc34)cc12.O=C(Nc1ccncc1)c1n[nH]c2ccc(-c3cncs3)cc12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 17/20 0.47
WNT1 P04628 12/20 0.47
CLK2 P49760 7/20 0.46
CLK3 P49761 7/20 0.46
PIK3C3 Q8NEB9 1/20 0.43
LRRK2 Q5S007 1/20 0.42
CD38 P28907 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
SCHEMBL951209 0.92 DYRK1A (0.54) DYRK1AWNT1CLK2CLK3PIK3C3
SCHEMBL81513 0.88 DYRK1A (0.56) DYRK1AWNT1CLK2CLK3LRRK2
SCHEMBL6221809 0.85 DYRK1A (0.50) DYRK1AWNT1CLK2CLK3PIK3C3
SCHEMBL81169 0.79 DYRK1A (0.45) DYRK1AWNT1CLK2CLK3PIK3C3
SCHEMBL82655 0.77 DYRK1A (0.70) DYRK1AWNT1CLK2CLK3
SCHEMBL5716625 0.77 DYRK1A (0.56) DYRK1AWNT1CLK2CLK3LRRK2
Hydrochloric Acid SCHEMBL951130 0.76 DYRK1A (0.55) DYRK1AWNT1CLK2CLK3LRRK2
Hydrochloric Acid SCHEMBL4529550 0.76 DYRK1A (0.55) DYRK1AWNT1CLK2CLK3LRRK2
SCHEMBL955157 0.75 DYRK1A (0.54) DYRK1AWNT1CLK2CLK3
SCHEMBL5916060 0.74 DYRK1A (0.59) DYRK1AWNT1CLK2CLK3

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
US-7482342-B2 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2009-01-27 US claimed