SCHEMBL24867279

SCHEMBL24867279

O=C(c1cnc(Nc2ccc(C3CCOCC3)cc2)nc1)c1ccncc1OC1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.45
NAMPT P43490 6/20 0.39
KDM4C Q9H3R0 2/20 0.39
TBK1 Q9UHD2 6/20 0.38
JAK2 O60674 2/20 0.38
HDAC3 O15379 1/20 0.37
CDK9 P50750 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL24867271 0.83 SYK (0.40) SYKNAMPTKDM4CTBK1HDAC3
SCHEMBL24866938 0.81 PTK2 (0.42) SYKNAMPT
SCHEMBL24866869 0.79 PDE4A (0.42) HDAC3CDK9HDAC6
SCHEMBL24867251 0.75 CHEK1 (0.39) NAMPTHDAC3CDK9HDAC6
SCHEMBL24867253 0.74 NPY5R (0.38) NAMPTHDAC3CDK9HDAC6
SCHEMBL24867241 0.74 CHEK1 (0.38) NAMPTHDAC3CDK9HDAC6
SCHEMBL24867250 0.74 CHEK1 (0.36) TBK1JAK2HDAC3CDK9HDAC6
SCHEMBL23022184 0.69 KAT2B (0.50) TBK1
SCHEMBL763226 0.65 SYK (0.73) SYK
SCHEMBL18422027 0.65 MKNK1 (0.67) KDM4C

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