SCHEMBL31000296

SCHEMBL31000296

COc1cc2nc(-c3nc(S(C)(=O)=O)ncc3Cl)cn2nc1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 2/20 0.36
▸ CHRM5 P08912 1/20 0.35
▸ SUV39H2 Q9H5I1 14/20 0.34
▸ NPC1 O15118 2/20 0.32
▸ TLR9 Q9NR96 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ LRRK2 Q5S007 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
SCHEMBL31000313 0.84 SUV39H2 (0.33) CHRM5SUV39H2
SCHEMBL31000272 0.82 PDE4B (0.34) PDE4BCHRM5SUV39H2MEN1KMT2A
SCHEMBL31000292 0.82 PDE4B (0.39) PDE4BCHRM5NPC1TLR9MEN1
SCHEMBL31639341 0.71 PDE10A (0.34) TLR9MEN1KMT2AALDH1A1MAPT
SCHEMBL30698334 0.69 KDM4E (0.32) NPC1RAB9AALDH1A1MAPT
SCHEMBL30632316 0.67 JUND (0.34) SUV39H2NPC1MEN1RAB9AKMT2A
SCHEMBL31639231 0.66 HPGD (0.34) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL31639301 0.65 KDM4E (0.34) PDE4BCHRM5SUV39H2MEN1KMT2A
SCHEMBL31000261 0.65 IGF1R (0.38) —
SCHEMBL31639289 0.64 KDM4E (0.36) TLR9MEN1KMT2AALDH1A1MAPT

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
EP-4658659-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF Children's Hospital Medical Center (US) 2025-12-10 — — EP disclosed
WO-2024163764-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2024-08-08 — — WO disclosed
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