SCHEMBL30969607

SCHEMBL30969607

O=C1NCCc2[nH]cnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 9/20 0.43
MAPKAPK2 P49137 6/20 0.36
CDK9 P50750 3/20 0.36
CDK2 P24941 3/20 0.36
ROCK2 O75116 2/20 0.36
GSK3B P49841 2/20 0.36
PLK1 P53350 2/20 0.36
HIPK2 Q9H2X6 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
CDK1 P06493 2/20 0.36
MAPKAPK3 Q16644 2/20 0.36
MAPKAPK5 Q8IW41 2/20 0.36
MKNK1 Q9BUB5 2/20 0.36
PLK4 O00444 1/20 0.36
MAPK13 O15264 1/20 0.36
DAPK3 O43293 1/20 0.36
DYRK3 O43781 1/20 0.36
RPS6KA5 O75582 1/20 0.36
RPS6KA4 O75676 1/20 0.36

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
SCHEMBL15141956 0.79
SCHEMBL5793769 0.72
SCHEMBL5138845 0.69 KMT2A (0.41) DYRK1APKN1PKN2
SCHEMBL8343167 0.68 MAP2K1 (0.43) CDC7CDK9CDK2PLK1CDK1
SCHEMBL23691776 0.65 ALDH1A1 (0.35) CDC7
SCHEMBL24852286 0.65 CRBN (0.35) CDC7MAPKAPK2CDK9CDK2ROCK2
SCHEMBL23337429 0.64 MEN1 (0.40) MAPK1
SCHEMBL3399674 0.63 PARP10 (0.53) PARP1PDPK1PARP10PARP11
SCHEMBL30097771 0.62 MKNK1 (0.40) CDC7MAPKAPK2CLK4MKNK1DAPK3
SCHEMBL8309980 0.62 MAP2K1 (0.37) CDC7MAPKAPK2CDK1PRKD3CHEK2

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
CN-117946098-A Pyrimidine PLK1 inhibitor and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-04-30 CN disclosed