SCHEMBL30504224

SCHEMBL30504224

CC(C)(C)[Si](C)(C)OCC[C@@H](F)[C@@H](O)[C@@H](O)n1cnc2c(NC(=O)c3ccccc3)ncnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT6 Q96LA8 1/20 0.37
▸ CCNB2 O95067 4/20 0.36
▸ CDK1 P06493 4/20 0.36
▸ CCNB1 P14635 4/20 0.36
▸ CCNB3 Q8WWL7 4/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ ABL1 P00519 1/20 0.32
▸ P2RY12 Q9H244 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ CSNK1A1 P48729 1/20 0.32
▸ CSNK1D P48730 1/20 0.32
▸ CDK7 P50613 1/20 0.32
▸ CCNH P51946 1/20 0.32
▸ MNAT1 P51948 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32

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
SCHEMBL30504220 0.84 CCNB2 (0.39) PRMT6CCNB2CDK1CCNB1CCNB3
SCHEMBL24722333 0.76 CCNB2 (0.41) PRMT6CCNB2CDK1CCNB1CCNB3
SCHEMBL17445619 0.75 PRMT6 (0.35) PRMT6CCNB2CDK1CCNB1CCNB3
SCHEMBL19221726 0.74 PRMT6 (0.35) PRMT6CCNB2CDK1CCNB1CCNB3
SCHEMBL20857311 0.73 CCNB2 (0.39) PRMT6CCNB2CDK1CCNB1CCNB3
SCHEMBL2718523 0.73 CDK1 (0.59) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL16039265 0.71 P2RY1 (0.39) PRMT6ADORA3ADORA2AADORA1ABL1
SCHEMBL21877980 0.71 ADORA3 (0.43) ADORA3ADORA2AADORA1BRD4
SCHEMBL18521958 0.70 CCNB2 (0.42) PRMT6CCNB2CDK1CCNB1CCNB3
SCHEMBL22990588 0.70 CDK1 (0.41) PRMT6CCNB2CDK1CCNB1CCNB3

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-111263767-B Cyclic dinucleotides as stimulators of interferon gene modulators 北京轩义医药科技有限公司 2023-07-18 — — CN disclosed
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