SCHEMBL28545656

SCHEMBL28545656

O=C(O)N1CCC[C@@H](Nc2nccc(N3CCOCC3)n2)C1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNK O75909 2/20 0.66
CDK12 Q9NYV4 2/20 0.66
HRH4 Q9H3N8 5/20 0.52
CXCR4 P61073 1/20 0.48
OGA O60502 1/20 0.46
MAPK10 P53779 8/20 0.45
MAPK9 P45984 3/20 0.45
MAPK8 P45983 2/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
JAK2 O60674 3/20 0.44
FLT3 P36888 3/20 0.44

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
SCHEMBL28545658 1.00 CCNK (0.66) CCNKCDK12HRH4CXCR4OGA
SCHEMBL23292251 0.85 CCNK (0.62) CCNKCDK12HRH4MAPK10MAPK9
SCHEMBL22895802 0.85 CCNK (0.62) CCNKCDK12HRH4MAPK10MAPK9
SCHEMBL23174113 0.81 HRH4 (0.70) CCNKCDK12HRH4CXCR4OGA
SCHEMBL22895491 0.80 CDK12 (1.00) CCNKCDK12CDK2
SCHEMBL22895532 0.80 CDK12 (1.00) CCNKCDK12CDK2
SCHEMBL29777694 0.80 CDK12 (1.00) CCNKCDK12CDK2
SCHEMBL29777697 0.80 CDK12 (1.00) CCNKCDK12CDK2
SCHEMBL28544359 0.80 CDK12 (1.00) CCNKCDK12CDK2
SCHEMBL1090709 0.79 CCNK (0.53) CCNKCDK12HRH4CXCR4MAPK10

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-112638373-A Cyclin-dependent kinase inhibitors 金耐特生物制药公司 2021-04-09 CN disclosed