SCHEMBL8233252

SCHEMBL8233252

Cn1ncc(-c2ccnc(NC3CCN(S(=O)(=O)c4ccccc4)CC3)n2)c1N

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.58
MAPK8 P45983 2/20 0.53
CHUK O15111 1/20 0.53
MAPK9 P45984 1/20 0.53
MAPK10 P53779 1/20 0.53
MAPK11 Q15759 1/20 0.53
MAPK14 Q16539 1/20 0.53
CDK2 P24941 8/20 0.47
CCNA2 P20248 6/20 0.47
CCNA1 P78396 5/20 0.47
CCNE1 P24864 1/20 0.46
AURKA O14965 2/20 0.45
CDK4 P11802 2/20 0.45
GSK3B P49841 1/20 0.45
RET P07949 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCND1 P24385 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
SCHEMBL8233717 0.92 IKBKB (0.53) IKBKBMAPK8CHUKMAPK9MAPK10
SCHEMBL5310497 0.91 IKBKB (0.46) IKBKBMAPK8CHUKMAPK9MAPK10
SCHEMBL8235920 0.88 IKBKB (0.49) IKBKBMAPK8CHUKMAPK9MAPK10
SCHEMBL8227898 0.88 IKBKB (0.60) IKBKBMAPK8CHUKMAPK9MAPK10
SCHEMBL8233232 0.83 IKBKB (0.48) IKBKBMAPK8CHUKMAPK9MAPK10
SCHEMBL8233871 0.82 IKBKB (0.47) IKBKBMAPK8CHUKMAPK9MAPK10
SCHEMBL5309626 0.81 BCDIN3D (0.46) IKBKBMAPK8CHUKMAPK9MAPK10
SCHEMBL8235871 0.80 CDK4 (0.58) IKBKBMAPK8MAPK9MAPK10MAPK14
SCHEMBL8233031 0.79 PIK3C3 (0.54) MAPK8MAPK9MAPK10CDK2CCNA2
SCHEMBL8227901 0.78 CDK4 (0.57) IKBKBMAPK8CDK2CCNA2CCNA1

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