SCHEMBL29601416

SCHEMBL29601416

C#CCn1cnc2nc(N)nc(Cl)c21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.40
ADORA2A P29274 4/20 0.36
ADORA1 P30542 4/20 0.36
DPP4 P27487 1/20 0.35
HSP90AA1 P07900 6/20 0.33
HSP90AB1 P08238 6/20 0.33
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
MGMT P16455 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 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
SCHEMBL22912677 0.84 ADORA2B (0.39) ADORA2B
SCHEMBL29601503 0.82 ADORA2B (0.38) ADORA2B
SCHEMBL29601775 0.76 ADORA2B (0.40) ADORA2BADORA2A
SCHEMBL28442794 0.76 HSP90AB1 (0.52) HSP90AA1HSP90AB1HDAC6HDAC4HDAC1
SCHEMBL8058952 0.76 ADORA2B (0.40) ADORA2BADORA2AADORA1DPP4HSP90AA1
SCHEMBL9391801 0.76 CSNK2A2 (0.44) ADORA2BADORA2AADORA1DPP4HDAC6
SCHEMBL4846999 0.74 ADORA2A (0.42) ADORA2BADORA2AADORA1
SCHEMBL22912744 0.73 ADORA2B (0.34) ADORA2BCDK2
SCHEMBL29138710 0.72 ADORA2B (0.44) ADORA2B
SCHEMBL7981126 0.71 ADORA2A (0.36) ADORA2AADORA1DPP4HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024097262-A1 CHEMOPROTEOMIC CAPTURE OF RNA BINDING ACTIVITY IN LIVING CELLS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2024-05-10 WO claimed
WO-2024097262-A1 CHEMOPROTEOMIC CAPTURE OF RNA BINDING ACTIVITY IN LIVING CELLS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2024-05-10 WO disclosed
EP-3997089-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF University Of Virginia Patent Foundation (US) 2022-05-18 EP disclosed