SCHEMBL24866903

SCHEMBL24866903

Cc1cc(Nc2cnc(Nc3cccc(CC(C)C)c3)nc2)cc(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
SYK P43405 4/20 0.40
P2RX3 P56373 2/20 0.39
JAK1 P23458 2/20 0.39
JAK3 P52333 2/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
JAK2 O60674 1/20 0.38
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
AURKA O14965 1/20 0.37
EGFR P00533 2/20 0.37
BTK Q06187 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
ITK Q08881 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL24866902 0.89 HDAC3 (0.46) CDK5CDK5R1SYKP2RX3JAK1
SCHEMBL24867244 0.86 RAB9A (0.44) CDK5CDK5R1SYKP2RX3POLB
SCHEMBL24866909 0.84 AKT1 (0.42) CDK5CDK5R1SYKP2RX3
SCHEMBL24867228 0.84 AKT1 (0.46) CDK5CDK5R1SYK
SCHEMBL24867231 0.81 CFD (0.39) CDK5CDK5R1SYKP2RX3JAK1
SCHEMBL24867225 0.80 PTGS1 (0.43) CDK5CDK5R1SYKJAK1JAK3
SCHEMBL24867233 0.79 CDK2 (0.43) CDK5CDK5R1SYKP2RX3TSHR
SCHEMBL24867248 0.78 IDH2 (0.47) SYK
SCHEMBL26115849 0.78 RAPGEF4 (0.43) P2RX3TSHRMAPTMAPK1NPSR1
SCHEMBL24866862 0.76 HDAC3 (0.48) JAK2POLBCDK2KDM4ELMNA

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