SCHEMBL5312697

SCHEMBL5312697

Cn1ncc(-c2ccnc(N[C@H]3CC[C@H](O)CC3)n2)c1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 9/20 0.56
MAPK9 P45984 9/20 0.56
MAPK10 P53779 8/20 0.56
GSK3B P49841 8/20 0.53
CDK2 P24941 3/20 0.53
MAP2K7 O14733 1/20 0.53
IKBKB O14920 1/20 0.53
MAPK13 O15264 1/20 0.53
MAP2K4 P45985 1/20 0.53
MAPKAPK2 P49137 1/20 0.53
MAP2K6 P52564 1/20 0.53
MAPK12 P53778 1/20 0.53
MAPK14 Q16539 1/20 0.53
PIK3CD O00329 1/20 0.53
PIK3CA P42336 1/20 0.53
PIK3CG P48736 1/20 0.53
PIK3C3 Q8NEB9 1/20 0.53
PI4KB Q9UBF8 1/20 0.53
CDK4 P11802 9/20 0.53
RET P07949 1/20 0.53

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
SCHEMBL5312695 1.00 MAPK8 (0.56) MAPK8MAPK9MAPK10GSK3BCDK2
SCHEMBL8233261 0.90 CDK4 (0.57) MAPK8MAPK9MAPK10GSK3BCDK2
SCHEMBL5315255 0.82 MAPK8 (0.54) MAPK8MAPK9MAPK10GSK3BCDK2
SCHEMBL5315259 0.82 MAPK8 (0.54) MAPK8MAPK9MAPK10GSK3BCDK2
SCHEMBL8236162 0.79 MAPK8 (0.51) MAPK8MAPK9MAPK10GSK3BCDK2
SCHEMBL8228078 0.79 MAPK8 (0.54) MAPK8MAPK9MAPK10GSK3BCDK2
SCHEMBL8233938 0.78 MAPK8 (0.54) MAPK8MAPK9MAPK10GSK3BCDK2
SCHEMBL8233929 0.78 RET (0.56) MAPK8MAPK9MAPK10GSK3BCDK2
SCHEMBL8233906 0.77 MAPK8 (0.51) MAPK8MAPK9MAPK10GSK3BCDK2
SCHEMBL8227580 0.76 MAPK8 (0.55) MAPK8MAPK9MAPK10GSK3BCDK2

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