SCHEMBL31000192

SCHEMBL31000192

COc1cc2ncc(-c3nc(N[C@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]4F)ncc3F)n2nc1N1CCS(=O)(=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 2/20 0.42
▸ CCND1 P24385 2/20 0.42
▸ CCND3 P30281 2/20 0.42
▸ CDK6 Q00534 2/20 0.42
▸ ALK Q9UM73 6/20 0.38
▸ IGF1R P08069 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ DNMT3A Q9Y6K1 1/20 0.34
▸ FGFR4 P22455 1/20 0.34
▸ DYRK2 Q92630 5/20 0.34
▸ CFTR P13569 2/20 0.33
▸ EGFR P00533 1/20 0.33
▸ NSD2 O96028 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
SCHEMBL31000072 0.87 CDK4 (0.45) CDK4CCND1CCND3CDK6ALK
SCHEMBL31000188 0.86 PIK3CA (0.40) CDK4CCND1CCND3CDK6ALK
SCHEMBL31000187 0.86 PIK3CA (0.40) CDK4CCND1CCND3CDK6ALK
SCHEMBL31000233 0.85 CDK4 (0.45) CDK4CCND1CCND3CDK6ALK
SCHEMBL31000311 0.85 CDK4 (0.45) CDK4CCND1CCND3CDK6ALK
SCHEMBL31000209 0.85 CDK4 (0.43) CDK4CCND1CCND3CDK6ALK
SCHEMBL31000174 0.84 CDK4 (0.44) CDK4CCND1CCND3CDK6ALK
SCHEMBL31000146 0.83 FLT3 (0.38) ALKIGF1RCDK2
SCHEMBL31639210 0.82 USP30 (0.38) CDK4CCND1CCND3CDK6ALK
SCHEMBL31000104 0.80 IGF1R (0.40) CDK4CCND1CCND3CDK6ALK

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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