SCHEMBL24867232

SCHEMBL24867232

Cc1cc(CC(C)C)cc(Nc2ncc(Nc3ccncc3)cn2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
IDO1 P14902 2/20 0.36
TDO2 P48775 2/20 0.36
KDR P35968 5/20 0.35
FLT1 P17948 2/20 0.35
FLT4 P35916 1/20 0.35
PTGS1 P23219 1/20 0.34
PDGFRB P09619 1/20 0.34
KIT P10721 1/20 0.34
CDK2 P24941 2/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND2 P30279 1/20 0.34
CCND3 P30281 1/20 0.34
RAB9A P51151 1/20 0.34
CCNA2 P20248 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
SCHEMBL24867214 0.84 RAB9A (0.43) AKT1PTGS1CDK4CCND1CCND2
SCHEMBL24866909 0.84 AKT1 (0.42) AKT1HDAC3HDAC1HDAC2HDAC6
SCHEMBL24866862 0.76 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC6KDR
SCHEMBL24867244 0.75 RAB9A (0.44) HDAC3HDAC1HDAC2HDAC6CDK2
SCHEMBL24866902 0.74 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC6KDR
SCHEMBL24867228 0.73 AKT1 (0.46) AKT1KDRRAB9ASYK
SCHEMBL24867148 0.73 RAB9A (0.40) FLT4PTGS1CDK2RAB9ACCNA2
SCHEMBL24866885 0.73 RAB9A (0.52) AKT1CDK2CCND3RAB9ACCNA2
SCHEMBL30130169 0.73 RAB9A (0.52) AKT1CDK2CCND3RAB9ACCNA2
SCHEMBL24867179 0.72 MAPK1 (0.37) AKT1HDAC3HDAC1HDAC2HDAC6

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