SCHEMBL8237976

SCHEMBL8237976

COc1ncccc1Nc1nccc(-c2cnn(C)c2N)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.51
GSK3B P49841 10/20 0.46
CCNB2 O95067 2/20 0.44
CDK1 P06493 2/20 0.44
CCNB1 P14635 2/20 0.44
CCNB3 Q8WWL7 2/20 0.44
CDK2 P24941 8/20 0.44
CDK4 P11802 6/20 0.44
TTK P33981 1/20 0.41
RET P07949 2/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
MAPK8 P45983 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39

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
SCHEMBL8233943 0.78 CDK4 (0.54) DYRK1AGSK3BCDK1CCNB1CDK2
SCHEMBL8233833 0.76 DYRK1A (0.56) DYRK1AGSK3BCDK2CDK4TTK
SCHEMBL14676415 0.76 PLAU (0.48) CCNB2CDK1CCNB1CCNB3MAPK8
SCHEMBL8237980 0.71 CDK2 (0.46) DYRK1AGSK3BCDK2CDK4
SCHEMBL8233534 0.71 CXCR4 (0.44) DYRK1AGSK3BCDK2CDK4MKNK1
SCHEMBL31691135 0.71 EGFR (0.50) DYRK1ACCNB2CDK1CCNB1CCNB3
SCHEMBL26644381 0.71 EGFR (0.50) DYRK1ACCNB2CDK1CCNB1CCNB3
SCHEMBL8229268 0.70 GSK3B (0.47) DYRK1AGSK3BCCNB2CDK1CCNB1
SCHEMBL8228313 0.70 DYRK1A (0.54) DYRK1AGSK3BCDK2CDK4
SCHEMBL8235923 0.70 MKNK1 (0.43) DYRK1AGSK3BCDK2CDK4MKNK1

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