SCHEMBL8233272

SCHEMBL8233272

Nc1[nH]ncc1-c1ccnc(NCCN2CCOCC2)n1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 6/20 0.60
CDK4 P11802 1/20 0.53
GSK3B P49841 1/20 0.53
EIF2AK2 P19525 3/20 0.52
DYRK1A Q13627 2/20 0.50
DYRK1B Q9Y463 2/20 0.50
FLT3 P36888 3/20 0.47
HTR2A P28223 1/20 0.46
CXCR4 P61073 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL8232828 0.77 CDK4 (0.51) CDK4
SCHEMBL13039331 0.77 EIF2AK2 (0.60) MKNK1CDK4GSK3BEIF2AK2DYRK1A
SCHEMBL8235095 0.76 NMT1 (0.52) MKNK1CDK4
SCHEMBL18803524 0.75 MKNK1 (1.00) MKNK1CDK4GSK3BEIF2AK2FLT3
SCHEMBL8229255 0.74 CDK2 (0.59) CDK4GSK3B
SCHEMBL8235029 0.74 MAPK8 (0.49) CDK4GSK3B
SCHEMBL580579 0.72 CDK4 (0.66) MKNK1CDK4GSK3BEIF2AK2KMT2A
SCHEMBL3652648 0.72 MKNK1 (0.65) MKNK1CDK4GSK3BEIF2AK2DYRK1A
SCHEMBL8229254 0.72 MAPK8 (0.51) CDK4GSK3B
SCHEMBL10323641 0.71 FLT3 (0.58) MKNK1CDK4GSK3BEIF2AK2DYRK1A

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
WO-2007129195-A2 4-PYRIMIDINE-5-AMINO-PYRAZOLE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-15 WO disclosed