SCHEMBL4523534

SCHEMBL4523534

COc1ccc(NC(=O)c2n[nH]c3ccc(-c4cnco4)cc23)cn1.Cc1c(O)ccnc1-c1ccc2[nH]nc(C(=O)Nc3ccncc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 14/20 0.53
CLK2 P49760 9/20 0.53
CLK3 P49761 8/20 0.53
WNT1 P04628 9/20 0.49
LRRK2 Q5S007 6/20 0.45
GSK3B P49841 2/20 0.44
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
CAMK2D Q13557 1/20 0.44
NTRK3 Q16288 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
SCHEMBL6221997 0.87 DYRK1A (0.67) DYRK1ACLK2CLK3WNT1LRRK2
SCHEMBL5915925 0.83 LRRK2 (0.53) LRRK2
SCHEMBL81160 0.83 DYRK1A (0.54) DYRK1ACLK2CLK3WNT1LRRK2
SCHEMBL952067 0.81 DYRK1A (0.55) DYRK1ACLK2CLK3WNT1LRRK2
SCHEMBL14792212 0.73 DYRK1A (0.74) DYRK1ACLK2CLK3WNT1
SCHEMBL5915922 0.72 DYRK1A (0.52) DYRK1ACLK2CLK3WNT1LRRK2
SCHEMBL14792242 0.72 DYRK1A (0.79) DYRK1ACLK2CLK3WNT1GSK3B
SCHEMBL14792378 0.71 DYRK1A (0.67) DYRK1ACLK2CLK3WNT1GSK3B
SCHEMBL22252956 0.70 DYRK1A (1.00) DYRK1ACLK2CLK3WNT1
SCHEMBL17096832 0.69 DYRK1A (0.69) DYRK1ACLK2CLK3WNT1GSK3B

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