SCHEMBL24458063

SCHEMBL24458063

CNc1ncc(C2CC2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
SSTR4 P31391 1/20 0.36
HRH4 Q9H3N8 3/20 0.35
HRH3 Q9Y5N1 3/20 0.35
HRH1 P35367 2/20 0.35
MAT2A P31153 1/20 0.35
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
CSF1R P07333 3/20 0.33
PSMB5 P28074 1/20 0.32
HRH2 P25021 1/20 0.32
PIP4K2A P48426 1/20 0.31
PIP4K2C Q8TBX8 1/20 0.31
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
DHODH Q02127 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
SCHEMBL24458076 0.82 IRAK4 (0.40) KDM4ESSTR4HRH4HRH3HRH1
SCHEMBL12240425 0.80 KDM4E (0.40) KDM4ESSTR4HRH4HRH3HRH1
SCHEMBL27102683 0.77 HRH4 (0.33) KDM4EHRH4HRH3HRH1MAT2A
SCHEMBL24587299 0.75 LRRK2 (0.37) KDM4EHRH4HRH3HRH1MAT2A
SCHEMBL16877078 0.73 KDM4E (0.45) KDM4ESSTR4HRH4HRH3HRH1
SCHEMBL12240507 0.73 PDGFRB (0.46) KDM4ESSTR4HRH4HRH3HRH1
SCHEMBL12240471 0.73 PDGFRB (0.42) KDM4ESSTR4HRH4HRH3HRH1
SCHEMBL6984527 0.72 NOS3 (0.37) KDM4E
SCHEMBL24458004 0.72 CSF1R (0.33) CSF1R
SCHEMBL13199572 0.71 NOS3 (0.48) KDM4E

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-2022109001-A1 GCN2 AND PERK KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2022-05-27 WO disclosed