SCHEMBL28009167

SCHEMBL28009167

Nc1nc(NC2CC2)nc(N)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.38
CDK1 P06493 3/20 0.34
CDK4 P11802 3/20 0.34
CCND1 P24385 3/20 0.34
CDK2 P24941 3/20 0.34
CASK O14936 1/20 0.34
ROCK2 O75116 1/20 0.34
CDKL5 O76039 1/20 0.34
STK10 O94804 1/20 0.34
CDK14 O94921 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
MAK P20794 1/20 0.34
CDK11B P21127 1/20 0.34
TTK P33981 1/20 0.34
CLK1 P49759 1/20 0.34
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL11474745 0.75 PDE4A (0.48) IDH1PDE4A
SCHEMBL27612761 0.75 CDK1 (0.46) CDK1CDK4CCND1CDK2CASK
Cyromazine SCHEMBL10832935 0.75 NUDT1 (0.43) PDE4APDE4BPDE4CPDE4DHRH4
SCHEMBL10706738 0.75 NUDT1 (0.43) IDH1PDE4AHRH4
Cyromazine SCHEMBL27231 0.75 NUDT1 (0.43) PDE4APDE4BPDE4CPDE4DHRH4
Water SCHEMBL6817641 0.74 CTSK (0.38) CDK2PDE4ACTSVPLATCTSL
SCHEMBL120066 0.74 CTSK (0.38) CDK2PDE4ACTSVPLATCTSL
Cyromazine SCHEMBL11476792 0.73 NUDT1 (0.42) PDE4APDE4BPDE4CPDE4DHRH4
Cyromazine SCHEMBL11478220 0.71 NUDT1 (0.41) PDE4AHRH4
SCHEMBL10913687 0.71 KMT2A (0.57) CDK2GSK3AGSK3BCDK5PDE4A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104649982-A Preparation method of dicyclanil QILU SYNVA PHARMACEUTICAL CO LTD 2015-05-27 CN claimed
CN-104649982-A Preparation method of dicyclanil QILU SYNVA PHARMACEUTICAL CO LTD 2015-05-27 CN disclosed