SCHEMBL31639210

SCHEMBL31639210

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.38
▸ PIK3CA P42336 7/20 0.37
▸ PIK3R1 P27986 5/20 0.37
▸ ALK Q9UM73 2/20 0.36
▸ MTOR P42345 2/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ ATR Q13535 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CCND3 P30281 1/20 0.35
▸ CDK6 Q00534 1/20 0.35
▸ NSD2 O96028 1/20 0.34
▸ DNMT3A Q9Y6K1 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ NRAS P01111 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ CFTR P13569 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ BTK Q06187 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
SCHEMBL31639307 0.92 TBK1 (0.38) USP30PIK3CAPIK3R1ALKNSD2
SCHEMBL30698310 0.88 ALK (0.35) ALKCDK4CCND1CCND3CDK6
SCHEMBL30698314 0.87 ALK (0.34) PIK3CAALKCDK4CCND1CCND3
SCHEMBL31000188 0.85 PIK3CA (0.40) USP30PIK3CAPIK3R1ALKCDK4
SCHEMBL31000187 0.85 PIK3CA (0.40) USP30PIK3CAPIK3R1ALKCDK4
SCHEMBL31739613 0.85 ALK (0.35) USP30PIK3CAALKPIK3CGCDK4
SCHEMBL31639084 0.83 CDK4 (0.36) USP30PIK3CAALKCDK4CCND1
SCHEMBL30698359 0.82 ALK (0.35) USP30PIK3CAPIK3R1ALKCDK4
SCHEMBL31000192 0.82 CDK4 (0.42) ALKCDK4CCND1CCND3CDK6
SCHEMBL31639195 0.82 FLT3 (0.46) PIK3CAMTORNRASFLT3ADORA2A

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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