SCHEMBL31639293

SCHEMBL31639293

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 3/20 0.37
▸ DNMT3A Q9Y6K1 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ NSD2 O96028 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ CCNT1 O60563 2/20 0.34
▸ CDK9 P50750 2/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ JAK2 O60674 1/20 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
SCHEMBL31639280 0.90 DNMT3A (0.36) TRPV3DNMT3AALDH1A1KDM4EHPGD
SCHEMBL31639104 0.88 HPGD (0.41) TRPV3DNMT3AALDH1A1KDM4EHPGD
SCHEMBL30698347 0.83 ALK (0.38) TRPV3DNMT3ANSD2PDE4BCCNT1
SCHEMBL31639364 0.83 TNF (0.32) —
SCHEMBL31639223 0.81 KMT2A (0.43) TRPV3DNMT3AKMT2ANSD2PDE4B
SCHEMBL31639212 0.80 TRPV3 (0.42) TRPV3DNMT3AALDH1A1KDM4EHPGD
SCHEMBL31639581 0.76 TNF (0.37) HPGDTP53
SCHEMBL31639276 0.75 NSD2 (0.35) DNMT3AALDH1A1KDM4EHPGDMEN1
SCHEMBL31000072 0.75 CDK4 (0.45) DNMT3AALDH1A1KDM4EHPGDMEN1
SCHEMBL31639084 0.74 CDK4 (0.36) TRPV3DNMT3AALDH1A1KDM4EHPGD

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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