SCHEMBL31470548

SCHEMBL31470548

N#Cc1cnc2c(N)cnn2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 2/20 0.44
KDM4E B2RXH2 2/20 0.40
HSD11B1 P28845 1/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
XDH P47989 1/20 0.37
HTT P42858 1/20 0.37
ATR Q13535 1/20 0.35
KCNJ5 P48544 2/20 0.35
ABL1 P00519 1/20 0.35
KDR P35968 1/20 0.35
EGLN2 Q96KS0 3/20 0.35
CDK2 P24941 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
IRAK4 Q9NWZ3 4/20 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
SCHEMBL24767177 0.79 KDM4E (0.43) KDM4EHSD11B1ALDH1A1LMNAGAA
SCHEMBL17080357 0.79 PRKAB2 (0.47) KDM4EHSD11B1ALDH1A1LMNAGAA
SCHEMBL6880856 0.77 SMPD3 (0.44) SMPD3KDM4EALDH1A1ABL1KDR
SCHEMBL4395064 0.75 SMPD3 (0.52) SMPD3KDR
SCHEMBL10258993 0.75 KDM4E (0.40) KDM4EHSD11B1KCNJ5EGLN2IRAK4
SCHEMBL24508343 0.75 HSD11B1 (0.52) KDM4EHSD11B1ALDH1A1ATRIRAK4
SCHEMBL29791694 0.74 ATR (0.44) KDM4EHSD11B1ALDH1A1LMNAGAA
SCHEMBL24508342 0.72 HSD11B1 (0.53) HSD11B1IRAK4
SCHEMBL29791699 0.72 KCNJ5 (0.44) KDM4EHSD11B1KCNJ5MEN1NPC1
SCHEMBL21893829 0.72 SMPD3 (0.48) SMPD3HSD11B1KDR

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
CN-122070287-A IRAK 4-targeted degradation agent compound and application thereof 江苏先声药业有限公司 2026-05-19 CN disclosed
WO-2025077891-A1 DEGRADATION AGENT COMPOUND TARGETING IRAK4, AND USE THEREOF 江苏先声药业有限公司 2025-04-17 WO disclosed