SCHEMBL4022591

SCHEMBL4022591

COCc1ncc(C(C)=O)n1C(C)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.36
HRH3 Q9Y5N1 3/20 0.32
KCNH2 Q12809 1/20 0.32
ATM Q13315 1/20 0.32
ACACB O00763 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TGFBR1 P36897 1/20 0.30
TGFBR2 P37173 1/20 0.30

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
SCHEMBL4023022 0.81 MAPT (0.32) CDK2
SCHEMBL4023024 0.81 MAPT (0.32) CDK2
SCHEMBL4028223 0.77 CDK2 (0.33) CDK2KCNH2ATMTGFBR1TGFBR2
SCHEMBL4026141 0.73 MAPK1 (0.35) CDK2HRH3MEN1KMT2A
SCHEMBL4025418 0.73 HRH3 (0.36) CDK2HRH3MEN1KMT2A
SCHEMBL5102679 0.72 ALOX15 (0.44) CDK2HRH3MEN1KMT2A
SCHEMBL6621616 0.71 CDK2 (0.35) CDK2MEN1KMT2A
SCHEMBL6621622 0.71 CDK2 (0.35) CDK2MEN1KMT2A
SCHEMBL4030180 0.68 CDK2 (0.46) CDK2KCNH2
SCHEMBL1447556 0.67 CDK2 (0.40) CDK2HRH3ACACBKMT2A

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