SCHEMBL31475223

SCHEMBL31475223

O=C(O)c1ccccc1Nc1ccc2c(/C=C/c3ccc(CN4CCCC4)cn3)nn(C3CCCCO3)c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.34
MCHR1 Q99705 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
EGFR P00533 2/20 0.33
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33
NR3C1 P04150 2/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AXL P30530 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
PRKCQ Q04759 2/20 0.32
PRKCD Q05655 2/20 0.32
KDR P35968 1/20 0.32
CNR2 P34972 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
SCHEMBL31517065 0.93 FAAH (0.37) FAAHMCHR1EGFRMEN1KMT2A
SCHEMBL31475188 0.92 AXL (0.41) MCHR1EGFRKMT2AAXLIRAK4
SCHEMBL30786167 0.85 PSEN1 (0.36) MCHR1RXRARXRBRXRG
SCHEMBL5205099 0.82 KDR (0.38) IRAK4KDR
SCHEMBL30786118 0.82 PRKCQ (0.34) RXRARXRBRXRGPRKCQPRKCD
SCHEMBL5209198 0.81 DGAT2 (0.34) RXRARXRBRXRGIRAK4KDR
SCHEMBL30786199 0.81 CYP4F2 (0.35) RXRARXRBRXRGPRKCQPRKCD
SCHEMBL30786116 0.81 RXRA (0.33) RXRARXRBRXRGPRKCQPRKCD
SCHEMBL31517057 0.80 KDM4E (0.34) FAAHMCHR1EGFRMEN1KMT2A
SCHEMBL30786196 0.80 KDR (0.43) EGFRKMT2AAXLKDR

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
CN-119604488-A Protein tyrosine kinase inhibitor and medical application thereof 苏州必扬医药科技有限公司 2025-03-11 CN disclosed