SCHEMBL24867489

SCHEMBL24867489

CC(C)Cc1ccc(Nc2ncc(C(=O)c3ccncc3C3CC3)cn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.38
RAB9A P51151 2/20 0.38
TBK1 Q9UHD2 1/20 0.37
ACACB O00763 5/20 0.37
MAPK1 P28482 1/20 0.36
SYK P43405 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
KDM4C Q9H3R0 1/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCNK O75909 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
IGF1R P08069 1/20 0.35

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
SCHEMBL24867184 0.89 GRM5 (0.38) CDK2RAB9ASYK
SCHEMBL24867186 0.87 KDM4C (0.37) KDM4C
SCHEMBL24866928 0.85 VNN1 (0.46) RAB9AACACBMAPK1HDAC3HDAC1
SCHEMBL24866886 0.84 HDAC3 (0.41) RAB9AACACBMAPK1HDAC3HDAC1
SCHEMBL24866925 0.83 VNN1 (0.46) CDK2RAB9AACACBMAPK1HDAC3
SCHEMBL24867490 0.82 ACACB (0.43) ACACBSYK
SCHEMBL24866869 0.82 PDE4A (0.42) RAB9AACACBHDAC3HDAC1HDAC6
SCHEMBL24867208 0.82 HDAC3 (0.41) RAB9AACACBMAPK1HDAC3HDAC1
SCHEMBL24867486 0.81 RAB9A (0.44) RAB9AACACBMAPK1HDAC3HDAC1
SCHEMBL24866867 0.80 PTGS1 (0.36) RAB9ATBK1ACACBMAPK1

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