SCHEMBL28291152

SCHEMBL28291152

O=C(Nc1cccnc1)c1n[nH]c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 8/20 0.74
CDK2 P24941 3/20 0.74
CCNA2 P20248 1/20 0.74
CCNA1 P78396 1/20 0.74
DYRK1A Q13627 5/20 0.64
WNT1 P04628 3/20 0.64
MAP4K1 Q92918 1/20 0.63
IDO1 P14902 1/20 0.59
CLK2 P49760 2/20 0.58
CLK3 P49761 2/20 0.58
CSNK2A1 P68400 4/20 0.58
YTHDC1 Q96MU7 1/20 0.57

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
SCHEMBL951125 0.86 FLT3 (1.00) FLT3CDK2CCNA2CCNA1MAP4K1
SCHEMBL30398090 0.86 FLT3 (1.00) FLT3CDK2CCNA2CCNA1MAP4K1
SCHEMBL30026349 0.85 FLT3 (0.81) FLT3CDK2CCNA2CCNA1MAP4K1
SCHEMBL5945670 0.84 DYRK1A (0.65) FLT3CDK2CCNA2CCNA1DYRK1A
SCHEMBL5945656 0.84 DYRK1A (0.64) DYRK1AWNT1CLK2CLK3
SCHEMBL14785616 0.84 DYRK1A (0.64) DYRK1AWNT1CLK2CLK3
SCHEMBL14785604 0.83 DYRK1A (0.84) DYRK1AWNT1CLK2CLK3
SCHEMBL4523169 0.81 FLT3 (0.89) FLT3CDK2CCNA2CCNA1MAP4K1
SCHEMBL14699293 0.80 ITK (0.82) FLT3CDK2CCNA2CCNA1CSNK2A1
SCHEMBL6223964 0.79 DYRK1A (0.78) 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
CN-109705097-A Indazole -3- carboxylic acid amides and its purposes as WNT/ β-CATENIN signal transduction pathway inhibitor 萨穆梅德有限公司 2019-05-03 CN disclosed