SCHEMBL30148799

SCHEMBL30148799

Cc1cc(C)c(CNc2nc(N3CCOCC3)nc3c2ncn3C2CCCC2)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 6/20 0.51
▸ PDGFRA P16234 1/20 0.45
▸ EZH2 Q15910 1/20 0.45
▸ EHMT2 Q96KQ7 1/20 0.45
▸ CDK1 P06493 2/20 0.44
▸ CDK5 Q00535 2/20 0.44
▸ CSNK1E P49674 7/20 0.44
▸ CLK1 P49759 2/20 0.44
▸ CLK2 P49760 2/20 0.44
▸ CDK7 P50613 2/20 0.44
▸ DYRK1A Q13627 2/20 0.44
▸ CLK4 Q9HAZ1 2/20 0.44
▸ CDK12 Q9NYV4 2/20 0.43
▸ CCNK O75909 1/20 0.43
▸ CSNK1D P48730 6/20 0.42
▸ CTSL P07711 1/20 0.41
▸ CDK13 Q14004 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
SCHEMBL30148820 0.85 EZH2 (0.46) FLT3EZH2CDK1CSNK1ECSNK1D
SCHEMBL30148823 0.84 CTSL (0.45) FLT3EZH2CDK1CTSL
SCHEMBL30148797 0.83 TDP1 (0.49) FLT3EZH2CDK1CTSL
SCHEMBL30148805 0.83 FLT3 (0.50) FLT3PDGFRAEZH2
SCHEMBL30148813 0.80 EZH2 (0.43) FLT3EZH2EHMT2CDK1CDK5
SCHEMBL30148787 0.76 YTHDC1 (0.59) FLT3
SCHEMBL30148817 0.75 ADORA3 (0.44) CDK1CTSL
SCHEMBL30148777 0.75 TDP1 (0.44) FLT3EZH2CDK1CTSL
SCHEMBL15243311 0.75 CSNK1E (0.67) FLT3CSNK1ECDK12CCNKCSNK1D
SCHEMBL30148811 0.75 TDP1 (0.48) FLT3CDK1CTSL

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-110903289-B Purine-aminomethyl-pyridone derivative, preparation method and application thereof 四川大学 2023-02-03 — — CN disclosed
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