SCHEMBL24866945

SCHEMBL24866945

Cc1cc(CC(C)C)ccc1Nc1ncc(Nc2ccnc(N)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.34
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.32
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
RET P07949 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
CPB2 Q96IY4 1/20 0.31

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
SCHEMBL24866871 0.81 MAPK3 (0.36) KDM4EPOLBSMN1; SMN2MAPK1RET
SCHEMBL24866862 0.74 HDAC3 (0.48) KDM4EPOLBSMN1; SMN2MAPK1HDAC3
SCHEMBL24867295 0.72 POLB (0.38) POLBMAPK1
SCHEMBL24866902 0.72 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC6RAB9A
SCHEMBL24867239 0.72 MAPT (0.38) KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL24866946 0.72 HDAC3 (0.41) MAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL24867179 0.71 MAPK1 (0.37) KDM4EPOLBSMN1; SMN2MAPK1HDAC3
SCHEMBL24867225 0.70 PTGS1 (0.43) KDM4E
SCHEMBL24866909 0.69 AKT1 (0.42) HDAC3HDAC1HDAC2HDAC6RAB9A
SCHEMBL24867214 0.69 RAB9A (0.43) SMN1; SMN2MAPK1RAB9A

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