SCHEMBL5333417

SCHEMBL5333417

Nc1c(-c2ccnc(NCCCS(N)(=O)=O)n2)cnn1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.38
CDK2 P24941 3/20 0.38
CCNT1 O60563 3/20 0.38
CDK9 P50750 3/20 0.38
CCNA2 P20248 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
CDK4 P11802 3/20 0.37
GSK3B P49841 2/20 0.37
CHRNA7 P36544 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
MYLK Q15746 1/20 0.35

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
SCHEMBL8236105 0.85 MKNK1 (0.46) MKNK1MKNK2MAPK8MAPK9MAPK10
SCHEMBL8236075 0.85 MAPK8 (0.43) MKNK1MKNK2MAPK8MAPK9MAPK10
SCHEMBL8233939 0.79 MAPK8 (0.44) MKNK1MKNK2MAPK8MAPK9MAPK10
SCHEMBL5314694 0.77 MAPK8 (0.50) MAPK8MAPK9MAPK10ALDH1A1TSHR
SCHEMBL5314464 0.75 MAPK8 (0.56) MAPK8MAPK9MAPK10CDK2CCNA2
SCHEMBL5311813 0.75 TSHR (0.47) MAPK8MAPK9MAPK10ALDH1A1TSHR
SCHEMBL8235073 0.73 MAPK10 (0.61) MKNK2MAPK8MAPK9MAPK10CDK2
SCHEMBL8232791 0.72 MAPK8 (0.59) MKNK1MAPK8MAPK9MAPK10CDK2
SCHEMBL8232786 0.71 MAPK8 (0.58) MAPK8MAPK9MAPK10CDK2CCNA2
SCHEMBL18365039 0.71 TSHR (0.49) MAPK8MAPK9MAPK10ALDH1A1TSHR

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