SCHEMBL25757052

SCHEMBL25757052

CCn1nc(I)c2c(=O)n(C)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EGFR P00533 1/20 0.32
RAF1 P04049 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
THRB P10828 1/20 0.32
CASP1 P29466 1/20 0.32
PTPN7 P35236 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
GALK1 P51570 1/20 0.32

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
SCHEMBL25757053 0.77 CNR1 (0.34) MAPTKDM4EMEN1HTTKMT2A
SCHEMBL27199578 0.72 JAK1 (0.35) ADORA2AADORA2B
SCHEMBL27199384 0.72 KDM4E (0.33) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL27199496 0.70 CNR1 (0.35) MAPTKDM4EMEN1HTTKMT2A
SCHEMBL25757051 0.67 RXFP1 (0.33) KDM4EADORA2AADORA2B
SCHEMBL2429551 0.67 NOS2 (0.35) EGFRADORA2AADORA2B
SCHEMBL25670290 0.66 BRD4 (0.34) MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL15833034 0.66 ALDH1A1 (0.44) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL25756717 0.64 ALDH1A1 (0.35) KDM4EALDH1A1ADORA2AADORA2B
SCHEMBL15792310 0.62 ADORA2A (0.44) MAPTKDM4EMEN1ALDH1A1TP53

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-2023109954-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-06-22 WO disclosed