SCHEMBL8233238

SCHEMBL8233238

CCNC(=O)N1CCC(Nc2nccc(-c3cnn(C)c3N)n2)CC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 13/20 0.63
MAPK9 P45984 12/20 0.63
CDK2 P24941 12/20 0.63
JUN P05412 10/20 0.63
MAPK10 P53779 7/20 0.59
CDK4 P11802 5/20 0.50
CDK1 P06493 3/20 0.50
CCND1 P24385 2/20 0.50
CCNA2 P20248 2/20 0.45
CCNB1 P14635 1/20 0.45
CCNA1 P78396 1/20 0.45
GSK3B P49841 2/20 0.44
CCNE1 P24864 1/20 0.43
CCND3 P30281 1/20 0.43
CDK6 Q00534 1/20 0.43
RET P07949 1/20 0.43
KCNH2 Q12809 1/20 0.42
DGAT1 O75907 1/20 0.42

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
SCHEMBL5312845 0.84 CDK4 (0.46) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL8233720 0.84 CDK2 (0.47) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL5313196 0.83 ADORA2A (0.46) MAPK8MAPK9CDK2JUNCDK4
SCHEMBL5315625 0.82 CDK4 (0.46) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL6039289 0.81 MAPK8 (0.66) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL8227901 0.80 CDK4 (0.57) MAPK8CDK2CDK4CDK1CCND1
SCHEMBL8235871 0.80 CDK4 (0.58) MAPK8MAPK9CDK2MAPK10CDK4
SCHEMBL5314566 0.80 CDK4 (0.46) MAPK8MAPK9CDK2MAPK10CDK4
SCHEMBL8227898 0.80 IKBKB (0.60) MAPK8MAPK9CDK2MAPK10CDK4
SCHEMBL8229248 0.79 CDK4 (0.50) MAPK8MAPK9CDK2MAPK10CDK4

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