SCHEMBL31639223

SCHEMBL31639223

COc1cc2nc(C)c(-c3ccc(F)c(N[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)n3)n2nc1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.43
▸ PIM1 P11309 4/20 0.42
▸ PIM2 Q9P1W9 4/20 0.42
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ TRPV3 Q8NET8 2/20 0.39
▸ SMPD3 Q9NY59 2/20 0.39
▸ DNMT3A Q9Y6K1 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ USP30 Q70CQ3 2/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ NSD2 O96028 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ ATM Q13315 1/20 0.37

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
SCHEMBL31639212 0.92 TRPV3 (0.42) KMT2APIM1PIM2CNR1CNR2
SCHEMBL30698291 0.81 PIK3CD (0.40) KMT2APIM1PIM2DNMT3APOLB
SCHEMBL31639293 0.81 TRPV3 (0.37) KMT2ATRPV3DNMT3AUSP30NSD2
SCHEMBL31639280 0.80 DNMT3A (0.36) KMT2ATRPV3DNMT3ANSD2PDE4B
SCHEMBL31639104 0.79 HPGD (0.41) KMT2ATRPV3DNMT3APOLBNSD2
SCHEMBL31639296 0.79 MAPKAPK2 (0.40) —
SCHEMBL31639286 0.78 KMT2A (0.39) KMT2APIM1PIM2DNMT3APOLB
SCHEMBL31639300 0.77 CFTR (0.40) KMT2APIM1PIM2USP30PIK3CD
SCHEMBL31639188 0.77 SCN9A (0.39) KMT2APIM1PIM2DNMT3APOLB
SCHEMBL31639374 0.77 PIK3CD (0.43) KMT2ADNMT3APOLBPIK3CDNSD2

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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