SCHEMBL24867253

SCHEMBL24867253

c1cc(Nc2cnc(Nc3ccc(C4CCCCC4)cc3)nc2)c(OC2CCCC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.38
CHEK1 O14757 3/20 0.38
CDK2 P24941 1/20 0.37
KDR P35968 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
NAMPT P43490 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDO2 P48775 1/20 0.36
CYP11B2 P19099 1/20 0.36
HDAC3 O15379 1/20 0.36
CDK9 P50750 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
WEE1 P30291 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 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
SCHEMBL24867251 0.99 CHEK1 (0.39) NPY5RCHEK1CDK2KDRKCNH2
SCHEMBL24867241 0.98 CHEK1 (0.38) NPY5RCHEK1CDK2KDRKCNH2
SCHEMBL24867271 0.91 SYK (0.40) CHEK1CDK2KCNH2SCN5ASCN9A
SCHEMBL24867250 0.90 CHEK1 (0.36) CHEK1CDK2KDRKCNH2SCN5A
SCHEMBL24866856 0.82 MAP4K1 (0.45) NPY5RKCNH2SCN5ASCN9ANAMPT
SCHEMBL24867301 0.82 PDE4A (0.38) CHEK1CDK2KDRHDAC3CDK9
SCHEMBL24867299 0.81 PDE4A (0.39) CHEK1PDE4APDE4BPDE4CPDE4D
SCHEMBL24867150 0.81 NAMPT (0.40) NPY5RKDRNAMPTLMNATSHR
SCHEMBL24866850 0.79 MAP4K1 (0.45) NPY5RCDK2KCNH2SCN5ASCN9A
SCHEMBL24867227 0.78 KCNH2 (0.41) NPY5RKCNH2SCN5ASCN9ANAMPT

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