SCHEMBL22915720

SCHEMBL22915720

C#COc1nc(N)nc2c1ncn2C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 7/20 0.48
▸ CCNB1 P14635 4/20 0.48
▸ CCNE1 P24864 4/20 0.48
▸ CDK2 P24941 4/20 0.48
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ YTHDC1 Q96MU7 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ JAK2 O60674 2/20 0.31
▸ JAK1 P23458 2/20 0.31
▸ TYK2 P29597 2/20 0.31
▸ JAK3 P52333 2/20 0.31

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
SCHEMBL22915718 0.81 CDK2 (0.60) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL12522769 0.81 CDK1 (0.53) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL24649386 0.80 ADORA2A (0.48) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL12522765 0.78 CDK1 (0.50) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL20857246 0.77 CDK1 (0.49) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL21562148 0.77 CDK1 (0.49) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL14087936 0.75 CDK1 (0.47) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL15887583 0.75 CDK1 (0.47) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL129642 0.73 CDK1 (0.68) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL14619498 0.72 CDK2 (0.45) CDK1CCNB1CCNE1CDK2ADORA2A

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
WO-2021013234-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS BEIGENE, LTD. (KY) 2021-01-28 — — WO disclosed
Send feedback