SCHEMBL4531298

SCHEMBL4531298

NS(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc5ccccc45)cc23)cc1.O=C(O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc5ccccc45)cc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.59
DYRK1A Q13627 7/20 0.58
WNT1 P04628 6/20 0.58
MMP9 P14780 2/20 0.47
CSNK2A1 P68400 2/20 0.46
DYRK3 O43781 1/20 0.46
MAP4K4 O95819 1/20 0.46
CDK1 P06493 1/20 0.46
MARK3 P27448 1/20 0.46
CLK2 P49760 1/20 0.46
GSK3B P49841 1/20 0.46
CSNK1G2 P78368 1/20 0.46
CDK5 Q00535 1/20 0.46
MAP4K2 Q12851 1/20 0.46
PRKAA1 Q13131 1/20 0.46
CAMK2B Q13554 1/20 0.46
CAMK2G Q13555 1/20 0.46
CAMK2D Q13557 1/20 0.46
NTRK3 Q16288 1/20 0.46
MARK2 Q7KZI7 1/20 0.46

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
SCHEMBL6221286 0.95 CDK2 (0.65) CDK2DYRK1AWNT1CSNK2A1DYRK3
SCHEMBL4523182 0.92 DYRK1A (0.67) CDK2DYRK1AWNT1MMP9CSNK2A1
SCHEMBL82655 0.82 DYRK1A (0.70) CDK2DYRK1AWNT1CSNK2A1DYRK3
SCHEMBL4522971 0.80 DYRK1A (0.65) CDK2DYRK1AWNT1MMP9CSNK2A1
SCHEMBL29843032 0.76 CDK2 (1.00) CDK2CSNK2A1FLT3CCNA2CCNA1
SCHEMBL4524087 0.76 CDK2 (1.00) CDK2CSNK2A1FLT3CCNA2CCNA1
SCHEMBL6221471 0.75 DYRK1A (0.62) CDK2DYRK1AWNT1CSNK2A1DYRK3
SCHEMBL17096021 0.74 DYRK1A (1.00) DYRK1AWNT1CDK1CLK2GSK3B
SCHEMBL4523358 0.74 DYRK1A (0.58) DYRK1AWNT1CLK2
SCHEMBL5916093 0.73 DYRK1A (0.62) CDK2DYRK1AWNT1CLK2

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 disclosed