SCHEMBL24867294

SCHEMBL24867294

CC(C)Cc1ccc(Nc2ncc(Nc3ccncc3OC3CCCNC3)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 15/20 0.49
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
CDC42BPB Q9Y5S2 2/20 0.40
CDC42BPA Q5VT25 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL24867299 0.90 PDE4A (0.39) CHEK1
SCHEMBL24867301 0.89 PDE4A (0.38) CHEK1
SCHEMBL24867187 0.79 ACACB (0.38)
SCHEMBL24867218 0.79 OPRM1 (0.32)
SCHEMBL24866872 0.77 PTGS1 (0.45) ROCK2ROCK1
SCHEMBL24866867 0.75 PTGS1 (0.36)
SCHEMBL24866869 0.74 PDE4A (0.42)
SCHEMBL24867304 0.72 RAB9A (0.40)
SCHEMBL24867298 0.72 PTGS1 (0.38)
SCHEMBL24867214 0.72 RAB9A (0.43)

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