SCHEMBL29259405

SCHEMBL29259405

COc1ccc(C(OCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)n2cnc3c(NC(=O)c4ccccc4)ncnc32)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TMIGD3 P0DMS9 4/20 0.35
EGFR P00533 1/20 0.35
ERBB3 P21860 1/20 0.35
ADORA3 P0DMS8 4/20 0.35
KDR P35968 2/20 0.34
RET P07949 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
FLT4 P35916 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL31543020 1.00 CCNB2 (0.38) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL29259454 0.88 CCNB2 (0.42) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL21873560 0.86 HDAC1 (0.39) CDK5CDK5R1HDAC1HDAC6TMIGD3
SCHEMBL21873563 0.86 HDAC1 (0.39) CDK5CDK5R1HDAC1HDAC6TMIGD3
SCHEMBL29259736 0.85 CDK5 (0.44) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL38651357 0.80 HDAC1 (0.39) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL14175380 0.80 CDK1 (0.41) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL21284196 0.80 CCNB2 (0.39) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL19493357 0.80 CDK5 (0.37) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL5179291 0.79 HDAC1 (0.40) HDAC1HDAC6TMIGD3EGFRERBB3

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-118063533-A Modified nucleotide compound, oligonucleotide and application thereof 广州必贝特医药股份有限公司 2024-05-24 CN disclosed