SCHEMBL31639307

SCHEMBL31639307

COc1cc2ncc(-c3nc(N[C@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]4F)c(C#N)cc3F)n2nc1N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 5/20 0.38
▸ NSD2 O96028 2/20 0.38
▸ PIK3R1 P27986 4/20 0.36
▸ PIK3CA P42336 4/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ LRRK2 Q5S007 2/20 0.36
▸ USP30 Q70CQ3 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ IKBKE Q14164 1/20 0.35
▸ EHMT2 Q96KQ7 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ DNMT3A Q9Y6K1 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
SCHEMBL31639210 0.92 USP30 (0.38) NSD2PIK3R1PIK3CAPIK3CDUSP30
SCHEMBL31639385 0.89 NSD2 (0.38) TBK1NSD2PIK3CDLRRK2GPR119
SCHEMBL31639610 0.83 NRAS (0.39) TBK1LRRK2ALDH1A1EHMT2
SCHEMBL31000187 0.82 PIK3CA (0.40) PIK3R1PIK3CALRRK2USP30ALK
SCHEMBL31000188 0.82 PIK3CA (0.40) PIK3R1PIK3CALRRK2USP30ALK
SCHEMBL30698310 0.81 ALK (0.35) NSD2PIK3CDGPR119ALKDNMT3A
SCHEMBL30698314 0.80 ALK (0.34) NSD2PIK3CAPIK3CDLRRK2EHMT2
SCHEMBL31000192 0.79 CDK4 (0.42) NSD2ALKDNMT3A
SCHEMBL31639374 0.78 PIK3CD (0.43) TBK1NSD2PIK3CAPIK3CDLRRK2
SCHEMBL31739613 0.78 ALK (0.35) NSD2PIK3CAPIK3CDUSP30EHMT2

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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