SCHEMBL31639280

SCHEMBL31639280

COc1cc2nc(C(N)=O)c(-c3ccc(F)c(N[C@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]4F)n3)n2nc1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNMT3A Q9Y6K1 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TRPV3 Q8NET8 2/20 0.35
▸ BTK Q06187 3/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ LCK P06239 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34

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
SCHEMBL31639104 0.91 HPGD (0.41) DNMT3APDE4BALDH1A1KDM4EHPGD
SCHEMBL31639293 0.90 TRPV3 (0.37) DNMT3APDE4BALDH1A1KDM4EHPGD
SCHEMBL31639290 0.83 ALK (0.34) ALK
SCHEMBL31639283 0.83 ALK (0.34) ALK
SCHEMBL31639223 0.80 KMT2A (0.43) DNMT3APDE4BKMT2ATRPV3NSD2
SCHEMBL31639212 0.79 TRPV3 (0.42) DNMT3APDE4BALDH1A1KDM4EHPGD
SCHEMBL30698347 0.77 ALK (0.38) DNMT3APDE4BTRPV3NSD2CCNT1
SCHEMBL31639276 0.74 NSD2 (0.35) DNMT3APDE4BALDH1A1KDM4EHPGD
SCHEMBL31000072 0.74 CDK4 (0.45) DNMT3APDE4BALDH1A1KDM4EHPGD
SCHEMBL31639084 0.74 CDK4 (0.36) DNMT3AALDH1A1KDM4EHPGDMEN1

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-2025137567-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2025-06-26 — — WO disclosed
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