SCHEMBL24866946

SCHEMBL24866946

Cc1cc(C(=O)c2cnc(Nc3ccc(CC(C)C)cc3C)nc2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
VNN1 O95497 15/20 0.38
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
MAPK1 P28482 1/20 0.35
WNT3A P56704 1/20 0.34

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
SCHEMBL24866952 0.90 VNN1 (0.38) VNN1S1PR1S1PR3
SCHEMBL24867178 0.89 VNN1 (0.44) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL24867487 0.86 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL24866950 0.82 VNN1 (0.35) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL24867191 0.82 VNN1 (0.38) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL24866949 0.80 VNN1 (0.41) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL24866947 0.78 VNN1 (0.35) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL24867180 0.77 VNN1 (0.43) VNN1
SCHEMBL24866940 0.77 VNN1 (0.40) VNN1
SCHEMBL24867185 0.76 VNN1 (0.43) VNN1

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