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Sugi Predict / Compounds / SCHEMBL24231687

SCHEMBL24231687

SCHEMBL24231687

CC(C)(C)OC(=O)N1CCC(Nc2cccc(-c3cnc4cc(C5(C)CC5)ccn34)n2)C1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.45
▸ FLT3 P36888 7/20 0.45
▸ IDH1 O75874 2/20 0.44
▸ USP30 Q70CQ3 4/20 0.43
▸ SYK P43405 1/20 0.41
▸ IRAK4 Q9NWZ3 6/20 0.41
▸ IDH2 P48735 1/20 0.40
▸ NRAS P01111 1/20 0.39

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
SCHEMBL24231841 0.90 IDH1 (0.46) CCNT1FLT3IDH1USP30SYK
SCHEMBL24231809 0.88 FLT3 (0.52) CCNT1FLT3IDH1USP30IRAK4
SCHEMBL24231604 0.87 FLT3 (0.58) CCNT1FLT3IDH1USP30IRAK4
SCHEMBL24231869 0.87 FLT3 (0.58) CCNT1FLT3IDH1USP30IRAK4
SCHEMBL24232046 0.87 FLT3 (0.47) CCNT1FLT3IDH1USP30SYK
SCHEMBL24231434 0.87 FLT3 (0.51) CCNT1FLT3IDH1USP30IRAK4
SCHEMBL24231985 0.86 FLT3 (0.46) CCNT1FLT3IDH1USP30SYK
SCHEMBL24574020 0.86 FLT3 (0.49) CCNT1FLT3IDH1USP30SYK
SCHEMBL24231463 0.86 IRAK4 (0.48) CCNT1FLT3IDH1USP30IRAK4
SCHEMBL24231865 0.85 IRAK4 (0.56) CCNT1FLT3USP30IRAK4

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-2022026935-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2022-02-03 — — WO disclosed
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