SCHEMBL24866928

SCHEMBL24866928

CC(C)Cc1ccc(Nc2ncc(C(=O)c3ccncc3Cl)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 3/20 0.46
RORC P51449 1/20 0.41
HDAC3 O15379 5/20 0.41
HDAC1 Q13547 5/20 0.41
HDAC2 Q92769 5/20 0.41
HDAC6 Q9UBN7 5/20 0.41
RAB9A P51151 1/20 0.40
MAPK1 P28482 1/20 0.39
BRAF P15056 3/20 0.37
NR3C1 P04150 1/20 0.36
ACACB O00763 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
SCHEMBL24866934 0.88 GRM5 (0.43) VNN1RORCRAB9A
SCHEMBL24866886 0.88 HDAC3 (0.41) VNN1RORCHDAC3HDAC1HDAC2
SCHEMBL24866925 0.87 VNN1 (0.46) VNN1RORCHDAC3HDAC1HDAC2
SCHEMBL24866949 0.86 VNN1 (0.41) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL24867208 0.85 HDAC3 (0.41) VNN1RORCHDAC3HDAC1HDAC2
SCHEMBL24867489 0.85 CDK2 (0.38) HDAC3HDAC1HDAC2HDAC6RAB9A
SCHEMBL24867486 0.85 RAB9A (0.44) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL24866927 0.84 AURKA (0.38) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL24866939 0.84 VNN1 (0.41) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL24867202 0.81 VNN1 (0.50) VNN1RAB9AMAPK1

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