SCHEMBL24867178

SCHEMBL24867178

Cc1cc(CC(C)C)ccc1Nc1ncc(C(=O)c2ccncc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 15/20 0.44
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
MAPK1 P28482 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL24866946 0.89 HDAC3 (0.41) VNN1S1PR1S1PR3MAPK1HDAC3
SCHEMBL24867191 0.88 VNN1 (0.38) VNN1S1PR1S1PR3MAPK1HDAC3
SCHEMBL24867180 0.88 VNN1 (0.43) VNN1
SCHEMBL24866952 0.87 VNN1 (0.38) VNN1S1PR1S1PR3
SCHEMBL24867185 0.86 VNN1 (0.43) VNN1
SCHEMBL24866949 0.86 VNN1 (0.41) VNN1S1PR1S1PR3MAPK1HDAC3
SCHEMBL24866940 0.83 VNN1 (0.40) VNN1
SCHEMBL24867486 0.82 RAB9A (0.44) VNN1MAPK1HDAC3HDAC1HDAC2
SCHEMBL24867186 0.82 KDM4C (0.37) VNN1
SCHEMBL24866947 0.80 VNN1 (0.35) VNN1S1PR1S1PR3HDAC3HDAC1

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