SCHEMBL31639374

SCHEMBL31639374

COc1cc2ncc(-c3nc(N[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)c(C#N)cc3F)n2nc1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 5/20 0.43
▸ NSD2 O96028 2/20 0.42
▸ EHMT2 Q96KQ7 2/20 0.39
▸ GPR119 Q8TDV5 2/20 0.38
▸ DNMT3A Q9Y6K1 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ SCN9A Q15858 1/20 0.36
▸ CFTR P13569 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ IKBKE Q14164 1/20 0.35
▸ TBK1 Q9UHD2 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35

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
SCHEMBL30698291 0.92 PIK3CD (0.40) PIK3CDNSD2EHMT2DNMT3APOLB
SCHEMBL31639179 0.91 PIK3CD (0.42) PIK3CDNSD2EHMT2GPR119DNMT3A
SCHEMBL31639286 0.89 KMT2A (0.39) PIK3CDNSD2DNMT3APOLBSCN9A
SCHEMBL31639337 0.89 PIK3CD (0.41) PIK3CDNSD2EHMT2GPR119DNMT3A
SCHEMBL31639188 0.88 SCN9A (0.39) PIK3CDNSD2DNMT3APOLBSCN9A
SCHEMBL30698318 0.86 PIK3CD (0.40) PIK3CDNSD2DNMT3ASCN9ACFTR
SCHEMBL31639332 0.81 EGFR (0.38) PIK3CDSCN9AKMT2A
SCHEMBL31639111 0.81 NRAS (0.38) PIK3CDNSD2EHMT2DNMT3ACFTR
SCHEMBL30698325 0.80 NRAS (0.37) PIK3CDNSD2EHMT2DNMT3ASCN9A
SCHEMBL31639346 0.79 PIK3CD (0.38) PIK3CDNSD2EHMT2CFTRPIK3CA

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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