SCHEMBL31000076

SCHEMBL31000076

COc1cc2ncc(-c3nc(N[C@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]4F)ncc3F)n2nc1C1CC(OCc2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CCND3 P30281 1/20 0.39
▸ CDK6 Q00534 1/20 0.39
▸ BACE1 P56817 1/20 0.38
▸ BACE2 Q9Y5Z0 1/20 0.38
▸ CDK2 P24941 2/20 0.37
▸ IGF1R P08069 1/20 0.37
▸ TLR9 Q9NR96 4/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ DNMT3A Q9Y6K1 1/20 0.35
▸ MERTK Q12866 1/20 0.34
▸ TLR7 Q9NYK1 2/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ PDE4B Q07343 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
SCHEMBL31000311 0.88 CDK4 (0.45) CDK4CCND1CCND3CDK6CDK2
SCHEMBL31000233 0.88 CDK4 (0.45) CDK4CCND1CCND3CDK6CDK2
SCHEMBL31000072 0.88 CDK4 (0.45) CDK4CCND1CCND3CDK6CDK2
SCHEMBL31000209 0.86 CDK4 (0.43) CDK4CCND1CCND3CDK6CDK2
SCHEMBL31000174 0.85 CDK4 (0.44) CDK4CCND1CCND3CDK6CDK2
SCHEMBL31000104 0.81 IGF1R (0.40) CDK4CCND1CCND3CDK6CDK2
SCHEMBL31000192 0.79 CDK4 (0.42) CDK4CCND1CCND3CDK6CDK2
SCHEMBL31639355 0.77 DNMT3A (0.34) CDK4CCND1CCND3CDK6ALK
SCHEMBL31000279 0.77 FYN (0.35) CDK2IGF1R
SCHEMBL31000100 0.76 IGF1R (0.39) CDK4CCND1CCND3CDK6CDK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658659-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF Children's Hospital Medical Center (US) 2025-12-10 — — EP disclosed
WO-2024163764-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2024-08-08 — — WO disclosed
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