SCHEMBL6989027

SCHEMBL6989027

CC1COCN1c1cc(-c2ccnc(Nc3cccc(C(F)(F)F)c3)n2)ccn1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMG1 Q96Q15 9/20 0.67
MTOR P42345 5/20 0.67
CLK1 P49759 1/20 0.56
CLK2 P49760 1/20 0.56
DYRK1A Q13627 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
DYRK1B Q9Y463 1/20 0.56
CDK2 P24941 8/20 0.51
CDK1 P06493 5/20 0.51
AURKA O14965 2/20 0.47
CDK4 P11802 1/20 0.46
GSK3B P49841 6/20 0.46
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45

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
SCHEMBL6095910 0.82 SMG1 (0.63) SMG1MTORCLK1CLK2DYRK1A
SCHEMBL28751600 0.80 SMG1 (0.60) SMG1MTORCLK1CLK2DYRK1A
SCHEMBL6987209 0.79 SMG1 (0.62) SMG1MTORCDK2CDK1CDK4
SCHEMBL2328646 0.76 CLK1 (0.65) SMG1MTORCLK1CLK2DYRK1A
SCHEMBL27116471 0.75 CLK1 (0.66) SMG1MTORCLK1CLK2DYRK1A
SCHEMBL4901590 0.75 ABL1 (0.67) SMG1MTORCLK1CLK2DYRK1A
SCHEMBL4892529 0.74 CLK1 (0.65) SMG1MTORCLK1CLK2DYRK1A
SCHEMBL3512029 0.73 AURKA (0.62) SMG1MTORCLK1CLK2DYRK1A
SCHEMBL25336406 0.72 CAMK2D (0.69) SMG1MTORCLK1CLK2DYRK1A
SCHEMBL27115596 0.72 SYK (0.65) SMG1MTORCLK1CLK2DYRK1A

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
EP-1349849-A1 MICROBIOCIDAL N-PHENYL-N-[4-(4-PYRIDYL)-2-PYRIMIDIN-2-YL]-AMINE DERIVATIVES Syngenta Participations AG (CH) 2003-10-08 EP claimed
WO-2002053560-A1 MICROBIOCIDAL N-PHENYL-N-[4-(4-PYRIDYL-2-PYRIMIDIN-2-YL]-AMINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2002-07-11 WO claimed