SCHEMBL30173097

SCHEMBL30173097

Cn1cnc2c(Cl)nc(F)nc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 5/20 0.50
YTHDC1 Q96MU7 3/20 0.47
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
CCNB1 P14635 1/20 0.37
CCNE2 O96020 1/20 0.35

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
SCHEMBL4378141 1.00 CDK1 (0.50) CDK1YTHDC1PDE4APDE4BPDE4C
SCHEMBL183035 0.81 CDK1 (0.68) CDK1YTHDC1PDE4APDE4BPDE4C
SCHEMBL29426225 0.81 CDK1 (0.68) CDK1YTHDC1PDE4APDE4BPDE4C
SCHEMBL7289687 0.79 CDK1 (0.51) CDK1YTHDC1PDE4APDE4BPDE4C
SCHEMBL23027205 0.78 CDK1 (0.42) CDK1YTHDC1PDE4APDE4BPDE4C
SCHEMBL130527 0.78 CDK1 (0.64) CDK1YTHDC1PDE4APDE4BPDE4C
SCHEMBL764036 0.78 CDK1 (0.59) CDK1YTHDC1ADORA2AADORA1CCNE1
SCHEMBL380974 0.78 CDK1 (0.50) CDK1YTHDC1PDE4APDE4BPDE4C
SCHEMBL8510719 0.77 PDE4A (0.63) CDK1YTHDC1PDE4APDE4BPDE4C
SCHEMBL1293109 0.77 CDK2 (0.49) CDK1ADORA2AADORA1CCNE1CDK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4380937-A1 CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR PROTEINS Rayzebio, Inc. (US) 2024-06-12 EP disclosed
WO-2023014988-A1 CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR PROTEINS RAYZEBIO, INC. (US) 2023-02-09 WO disclosed