SCHEMBL23547997

SCHEMBL23547997

CO[C@H](COP(OCCC#N)N(C(C)C)C(C)C)[C@@H](N)[C@@H](F)n1cnc2c(NC(=O)c3ccccc3)ncnc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 3/20 0.35
▸ CDK1 P06493 3/20 0.35
▸ CCNB1 P14635 3/20 0.35
▸ CCNB3 Q8WWL7 3/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ PRMT6 Q96LA8 1/20 0.34
▸ CDK2 P24941 1/20 0.32
▸ P2RY12 Q9H244 1/20 0.30
▸ AURKA O14965 1/20 0.30
▸ RPS6KB1 P23443 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA1 P30542 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
SCHEMBL25605580 0.86 CCNB2 (0.35) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL24487741 0.80 CCNB2 (0.33) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL22968447 0.80 PRMT6 (0.39) CCNB2CDK1CCNB1CCNB3PRMT6
SCHEMBL26230946 0.80 P2RY1 (0.39) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL22759882 0.80 CCNB2 (0.35) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL13443480 0.79 L3MBTL1 (0.36) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL17445621 0.78 CCNB2 (0.31) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL19221723 0.77 CCNB2 (0.32) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL23547876 0.77 PRMT6 (0.43) PRMT6P2RY12ADORA1
SCHEMBL23547992 0.77 PRMT6 (0.40) PRMT6P2RY12ADORA1

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
US-20210189392-A1 S-ANTIGEN TRANSPORT INHIBITING OLIGONUCLEOTIDE POLYMERS AND METHODS ALIGOS THERAPEUTICS, INC. 2021-06-24 — — US disclosed
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