SCHEMBL24867299

SCHEMBL24867299

CC(C)Cc1ccc(Nc2ncc(Nc3ccncc3OC3CCCC3)cn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.39
ACACB O00763 2/20 0.37
PDE4D Q08499 2/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
NPR3 P17342 1/20 0.36
CHEK1 O14757 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36

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
SCHEMBL24867301 0.99 PDE4A (0.38) PDE4AACACBPDE4DPDE4BPDE4C
SCHEMBL24867294 0.90 CHEK1 (0.49) CHEK1
SCHEMBL24867187 0.85 ACACB (0.38) ACACB
SCHEMBL24867218 0.84 OPRM1 (0.32)
SCHEMBL24866872 0.84 PTGS1 (0.45) ACACB
SCHEMBL24866869 0.83 PDE4A (0.42) PDE4AACACBADRB1ADRB3
SCHEMBL24867251 0.81 CHEK1 (0.39) PDE4APDE4DPDE4BPDE4CCHEK1
SCHEMBL24867253 0.81 NPY5R (0.38) PDE4APDE4DPDE4BPDE4CCHEK1
SCHEMBL24866867 0.81 PTGS1 (0.36) ACACB
SCHEMBL24867241 0.81 CHEK1 (0.38) PDE4APDE4DPDE4BPDE4CCHEK1

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
WO-2023283488-A9 CDK19-SELECTIVE INHIBITORS, AND METHODS OF USE THEREOF CZ BIOHUB SF, LLC (US) 2023-05-25 WO disclosed
WO-2023283488-A2 CDK19-SELECTIVE INHIBITORS, AND METHODS OF USE THEREOF CHAN ZUCKERBERG BIOHUB, INC. (US) 2023-01-12 WO disclosed