SCHEMBL30607652

SCHEMBL30607652

CN(C)c1cnn(-c2ccccc2C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.41
KDM4E B2RXH2 1/20 0.40
BRD4 O60885 1/20 0.40
KMT2A Q03164 1/20 0.37
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
AXL P30530 1/20 0.34
HSP90AA1 P07900 1/20 0.33
CYP3A4 P08684 1/20 0.33
SLC2A1 P11166 1/20 0.33
SLC2A2 P11168 1/20 0.33
SLC2A3 P11169 1/20 0.33

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
SCHEMBL20738212 0.80 KDM4E (0.46) CREBBPKDM4EBRD4KMT2AERCC5
SCHEMBL21877551 0.76 BRD4 (0.42) CREBBPKDM4EBRD4ERCC5FEN1
SCHEMBL21484069 0.76 CREBBP (0.41) CREBBPKDM4EBRD4ERCC5FEN1
SCHEMBL23381882 0.76 CREBBP (0.41) CREBBPKDM4EBRD4ERCC5FEN1
SCHEMBL27748840 0.76 TDO2 (0.41) CREBBPKDM4EBRD4KMT2AERCC5
SCHEMBL21706148 0.76 CREBBP (0.41) CREBBPKDM4EBRD4ERCC5FEN1
SCHEMBL24352877 0.74 CYP3A4 (0.43) CREBBPKDM4EBRD4ERCC5FEN1
SCHEMBL30332120 0.74 CREBBP (0.40) CREBBPKDM4EBRD4KMT2AERCC5
SCHEMBL31055053 0.73 CREBBP (0.41) CREBBPKDM4EBRD4ERCC5FEN1
SCHEMBL31055062 0.73 ERCC5 (0.45) CREBBPKDM4EBRD4KMT2AERCC5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023186065-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2023-10-05 WO disclosed