SCHEMBL24866902

SCHEMBL24866902

Cc1cc(Nc2cnc(Nc3cccc(CC(C)C)c3)nc2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
JAK2 O60674 7/20 0.42
PTK2 Q05397 2/20 0.38
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CFD P00746 1/20 0.37
SYK P43405 3/20 0.37
P2RX3 P56373 1/20 0.37
KDR P35968 1/20 0.36
RAB9A P51151 1/20 0.36
JAK1 P23458 2/20 0.35
JAK3 P52333 2/20 0.35
FLT3 P36888 1/20 0.34
EGFR P00533 1/20 0.34
BTK Q06187 1/20 0.34

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
SCHEMBL24866903 0.89 CDK5 (0.40) JAK2CDK5CDK5R1SYKP2RX3
SCHEMBL24866909 0.88 AKT1 (0.42) HDAC3HDAC1HDAC2HDAC6CDK5
SCHEMBL24866862 0.88 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC6JAK2
SCHEMBL24867231 0.87 CFD (0.39) HDAC3HDAC1HDAC2HDAC6JAK2
SCHEMBL24867228 0.85 AKT1 (0.46) CDK5CDK5R1SYKKDRRAB9A
SCHEMBL24867233 0.85 CDK2 (0.43) PTK2CDK5CDK5R1SYKP2RX3
SCHEMBL24867248 0.84 IDH2 (0.47) SYKKDR
SCHEMBL24867225 0.81 PTGS1 (0.43) JAK2CDK5CDK5R1SYKJAK1
SCHEMBL26115849 0.77 RAPGEF4 (0.43) P2RX3
SCHEMBL24867244 0.74 RAB9A (0.44) HDAC3HDAC1HDAC2HDAC6CDK5

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