SCHEMBL4026141

SCHEMBL4026141

COCc1ncc(C(C)=O)n1C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
GAA P10253 2/20 0.34
JAK1 P23458 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCND1 P24385 5/20 0.34
CDK2 P24941 3/20 0.34
CCNE1 P24864 2/20 0.34
CDK6 Q00534 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CDK4 P11802 4/20 0.33
CCND3 P30281 2/20 0.33
PIK3CA P42336 1/20 0.33
PRKDC P78527 1/20 0.33
CCNA2 P20248 1/20 0.33
CCND2 P30279 1/20 0.33
CCNA1 P78396 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL4025418 0.97 HRH3 (0.36) MAPK1GAAJAK1MEN1KMT2A
SCHEMBL4031074 0.80 MAPT (0.39) MEN1KMT2ACCND1CDK2CCNE1
SCHEMBL4031070 0.80 MAPT (0.39) MEN1KMT2ACCND1CDK2CCNE1
SCHEMBL4021809 0.78 MAPT (0.36) GAAMEN1KMT2ASMN1; SMN2CCND1
SCHEMBL4021806 0.78 MAPT (0.36) GAAMEN1KMT2ASMN1; SMN2CCND1
SCHEMBL1447759 0.76 CDK2 (0.40) GAAJAK1MEN1KMT2ASMN1; SMN2
SCHEMBL4243666 0.75 GAA (0.41) MAPK1GAAJAK1MEN1KMT2A
SCHEMBL5102679 0.74 ALOX15 (0.44) MEN1KMT2ASMN1; SMN2CDK2HRH3
SCHEMBL4031026 0.73 CDK2 (0.37) GAAMEN1KMT2ACCND1CDK2
SCHEMBL5102686 0.71 CDK2 (0.42) MEN1KMT2ACDK2HRH3ALDH1A1

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
EP-1485375-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2009-06-17 EP disclosed