SCHEMBL31639385

SCHEMBL31639385

COc1cc2ncc(-c3nc(N[C@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]4F)c(C#N)cc3F)n2nc1C1(C)COC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 2/20 0.38
▸ PIK3CD O00329 1/20 0.36
▸ EHMT2 Q96KQ7 1/20 0.35
▸ GPR119 Q8TDV5 5/20 0.35
▸ TBK1 Q9UHD2 4/20 0.35
▸ IKBKE Q14164 1/20 0.35
▸ LRRK2 Q5S007 3/20 0.34
▸ ALK Q9UM73 2/20 0.34
▸ DNMT3A Q9Y6K1 1/20 0.34
▸ CDK4 P11802 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CCND3 P30281 1/20 0.33
▸ CDK6 Q00534 1/20 0.33
▸ CFTR P13569 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
SCHEMBL31639307 0.89 TBK1 (0.38) NSD2PIK3CDEHMT2GPR119TBK1
SCHEMBL31639304 0.82 NRAS (0.39) LRRK2
SCHEMBL31639210 0.81 USP30 (0.38) NSD2PIK3CDALKDNMT3ACDK4
SCHEMBL30698310 0.79 ALK (0.35) NSD2PIK3CDGPR119ALKDNMT3A
SCHEMBL31639374 0.78 PIK3CD (0.43) NSD2PIK3CDEHMT2GPR119TBK1
SCHEMBL31739613 0.78 ALK (0.35) NSD2PIK3CDEHMT2ALKDNMT3A
SCHEMBL31639179 0.77 PIK3CD (0.42) NSD2PIK3CDEHMT2GPR119ALK
SCHEMBL30698314 0.76 ALK (0.34) NSD2PIK3CDEHMT2LRRK2ALK
SCHEMBL31639084 0.76 CDK4 (0.36) NSD2PIK3CDGPR119ALKDNMT3A
SCHEMBL30698359 0.75 ALK (0.35) NSD2PIK3CDEHMT2ALKDNMT3A

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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