SCHEMBL24866871

SCHEMBL24866871

Cc1cnccc1Nc1cnc(Nc2ccc(CC(C)C)cc2C)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 1/20 0.36
MAPK1 P28482 2/20 0.34
RAB9A P51151 1/20 0.33
TDO2 P48775 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RET P07949 2/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
DHODH Q02127 1/20 0.32
PTGS1 P23219 3/20 0.32
PTGS2 P35354 2/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 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
SCHEMBL24867295 0.91 POLB (0.38) MAPK3MAPK1ALDH1A1DHODHPTGS1
SCHEMBL24867225 0.87 PTGS1 (0.43) PTGS1PTGS2KDM4E
SCHEMBL24866945 0.81 SCN9A (0.34) MAPK1RAB9ARETCCNB2CDK1
SCHEMBL24867191 0.80 VNN1 (0.38) MAPK3MAPK1RAB9AS1PR1S1PR3
SCHEMBL24867296 0.79 POLB (0.37) MAPK1TDO2DHODHPTGS1PTGS2
SCHEMBL24867178 0.78 VNN1 (0.44) MAPK1S1PR1S1PR3
SCHEMBL24867147 0.77 POLB (0.36) CDK2POLB
SCHEMBL24867298 0.76 PTGS1 (0.38) MAPK1RAB9ACCNA2CDK2DHODH
SCHEMBL24867304 0.76 RAB9A (0.40) MAPK1RAB9ACDK2ALDH1A1DHODH
SCHEMBL24867214 0.74 RAB9A (0.43) MAPK1RAB9APTGS1PTGS2SMN1; SMN2

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