SCHEMBL31639084

SCHEMBL31639084

[2H]C([2H])([2H])Oc1cc2ncc(-c3nc(N[C@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]4F)c(F)cc3F)n2nc1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ CCND3 P30281 1/20 0.36
▸ CDK6 Q00534 1/20 0.36
▸ PIK3CD O00329 3/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ ALK Q9UM73 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ DNMT3A Q9Y6K1 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ NRAS P01111 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 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
SCHEMBL30698310 0.87 ALK (0.35) CDK4CCND1CCND3CDK6PIK3CD
SCHEMBL31000072 0.85 CDK4 (0.45) CDK4CCND1CCND3CDK6ALK
SCHEMBL31639355 0.84 DNMT3A (0.34) CDK4CCND1CCND3CDK6ALK
SCHEMBL31739613 0.84 ALK (0.35) CDK4CCND1CCND3CDK6PIK3CD
SCHEMBL30698359 0.84 ALK (0.35) CDK4CCND1CCND3CDK6PIK3CD
SCHEMBL30698291 0.84 PIK3CD (0.40) PIK3CDNTRK1ALKDNMT3ANSD2
SCHEMBL31000195 0.83 CFTR (0.36) CDK4CCND1CCND3CDK6USP30
SCHEMBL31639210 0.83 USP30 (0.38) CDK4CCND1CCND3CDK6PIK3CD
SCHEMBL30698314 0.82 ALK (0.34) CDK4CCND1CCND3CDK6PIK3CD
SCHEMBL31639205 0.81 NRAS (0.44) NRASFLT3CCNT1CDK9

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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