SCHEMBL31000136

SCHEMBL31000136

CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](Nc2cncc(-c3cnc4cc(OCC(F)F)c(C5CC5)nn34)n2)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ IRAK4 Q9NWZ3 3/20 0.33
▸ TRPV3 Q8NET8 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ CCNT1 O60563 1/20 0.32
▸ SYK P43405 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
SCHEMBL31000124 0.92 PDE4B (0.36) PREPMAPTHPGDKDM4EMEN1
SCHEMBL31000138 0.87 PDE4D (0.37) PREPMAPTHPGDKDM4EMEN1
SCHEMBL24975704 0.82 CFTR (0.35) CCNT1SYKPIK3CD
SCHEMBL26661906 0.82 CFTR (0.35) CCNT1SYKPIK3CD
SCHEMBL31000201 0.82 DYRK1A (0.38) IRAK4CCNT1
SCHEMBL31000247 0.80 RIPK1 (0.35) MAPT
SCHEMBL30698336 0.78 SYK (0.38) MAPTHPGDKDM4EMEN1ALDH1A1
SCHEMBL24542620 0.77 FLT3 (0.40) MAPTHPGDKDM4EMEN1ALDH1A1
SCHEMBL31000195 0.76 CFTR (0.36) PREPMAPTHPGDKDM4EMEN1
SCHEMBL31639276 0.75 NSD2 (0.35) MAPTHPGDKDM4EMEN1ALDH1A1

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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