SCHEMBL24866909

SCHEMBL24866909

CC(C)Cc1cccc(Nc2ncc(Nc3ccncc3)cn2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.42
IDO1 P14902 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
RAB9A P51151 1/20 0.39
MET P08581 1/20 0.39
CTSC P53634 1/20 0.39
PTGS1 P23219 2/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
SYK P43405 3/20 0.38
PTGS2 P35354 1/20 0.36
KCNH3 Q9ULD8 1/20 0.36
CFD P00746 1/20 0.36
P2RX3 P56373 1/20 0.36
FLT3 P36888 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
SCHEMBL24867228 0.90 AKT1 (0.46) AKT1RAB9AMETCTSCCDK5
SCHEMBL24866902 0.88 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC6RAB9A
SCHEMBL24867231 0.86 CFD (0.39) AKT1IDO1HDAC3HDAC1HDAC2
SCHEMBL24867225 0.85 PTGS1 (0.43) IDO1METPTGS1CDK5CDK5R1
SCHEMBL24867214 0.85 RAB9A (0.43) AKT1RAB9APTGS1PTGS2KCNH3
SCHEMBL24867233 0.84 CDK2 (0.43) CDK5CDK5R1SYKKCNH3P2RX3
SCHEMBL24867232 0.84 AKT1 (0.37) AKT1IDO1HDAC3HDAC1HDAC2
SCHEMBL24866903 0.84 CDK5 (0.40) CDK5CDK5R1SYKP2RX3
SCHEMBL24867248 0.83 IDH2 (0.47) PTGS1SYK
SCHEMBL24866885 0.79 RAB9A (0.52) AKT1RAB9A

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