SCHEMBL31000247

SCHEMBL31000247

COc1cc2ncc(-c3cncc(N[C@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4F)n3)n2nc1C1CC(F)(F)C1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 16/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ TBK1 Q9UHD2 1/20 0.34
▸ CFTR P13569 1/20 0.34
▸ MAPT P10636 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
SCHEMBL30698336 0.84 SYK (0.38) RIPK1USP30TBK1CFTRMAPT
SCHEMBL24542620 0.83 FLT3 (0.40) USP30CFTRMAPT
SCHEMBL31000281 0.82 DYRK1A (0.37) —
SCHEMBL31000196 0.81 CFTR (0.39) TBK1CFTR
SCHEMBL31000124 0.81 PDE4B (0.36) CFTRMAPT
SCHEMBL26661906 0.80 CFTR (0.35) RIPK1TBK1CFTR
SCHEMBL24975704 0.80 CFTR (0.35) RIPK1TBK1CFTR
SCHEMBL31000136 0.80 PREP (0.34) MAPT
SCHEMBL31000174 0.79 CDK4 (0.44) TBK1CFTR
SCHEMBL24975903 0.79 USP30 (0.36) RIPK1USP30

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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