SCHEMBL28629559

SCHEMBL28629559

[N-]=[N+]=NCc1cc2n(n1)CCNC2=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.47
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GRM5 P41594 1/20 0.31

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
SCHEMBL28641195 0.80 KDM4E (0.35) ALDH1A1KDM4E
SCHEMBL16286093 0.77 CDC7 (0.54) CDC7ALDH1A1GAAPIM1PIM2
SCHEMBL28645562 0.77 CDC7 (0.54) CDC7ALDH1A1GAAPIM1PIM2
SCHEMBL17340778 0.77 CDC7 (0.54) CDC7ALDH1A1GAAPIM1PIM2
SCHEMBL16682680 0.71 CDC7 (0.51) CDC7ALDH1A1GAAPIM1PIM2
SCHEMBL30229272 0.71 CDC7 (0.48) CDC7ALDH1A1GAAPIM1PIM2
SCHEMBL21247869 0.70 CDC7 (0.47) CDC7ALDH1A1GAA
SCHEMBL30229287 0.70 CDC7 (0.47) CDC7ALDH1A1GAAPIM1PIM2
SCHEMBL9938009 0.69 CDC7 (0.46) CDC7PIM1PIM2GRM5
SCHEMBL23541838 0.69 CDC7 (0.55) CDC7ALDH1A1GAAPIM1PIM2

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
CN-113429410-B Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof 上海海雁医药科技有限公司 2022-10-04 CN disclosed
CN-113429410-A Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof 上海海雁医药科技有限公司 2021-09-24 CN disclosed