SCHEMBL24867490

SCHEMBL24867490

CC(C)Cc1ccc(Nc2ncc(C(=O)c3ccncc3NC3CCCC3)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.43
SYK P43405 7/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
PTGS1 P23219 1/20 0.38

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
SCHEMBL24866869 0.85 PDE4A (0.42) ACACB
SCHEMBL24867489 0.82 CDK2 (0.38) ACACBSYK
SCHEMBL24866872 0.82 PTGS1 (0.45) ACACBAURKAAURKBPTGS1
SCHEMBL24866886 0.81 HDAC3 (0.41) ACACB
SCHEMBL24866925 0.80 VNN1 (0.46) ACACBAURKA
SCHEMBL24866928 0.80 VNN1 (0.46) ACACB
SCHEMBL24867208 0.79 HDAC3 (0.41) ACACB
SCHEMBL24867486 0.78 RAB9A (0.44) ACACB
SCHEMBL24866927 0.77 AURKA (0.38) ACACBAURKA
SCHEMBL24866939 0.77 VNN1 (0.41)

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