SCHEMBL24231869

SCHEMBL24231869

CC(C)(C)OC(=O)N1CC[C@@H](Nc2cccc(-c3cnc4cc(Cl)ccn34)n2)C1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 11/20 0.58
▸ CCNT1 O60563 1/20 0.49
▸ USP30 Q70CQ3 2/20 0.46
▸ FGFR3 P22607 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ IRAK4 Q9NWZ3 8/20 0.43
▸ IRAK1 P51617 2/20 0.43
▸ LCK P06239 1/20 0.43
▸ RET P07949 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ CDK7 P50613 1/20 0.43
▸ BLK P51451 1/20 0.43
▸ CCNH P51946 1/20 0.43
▸ IDH1 O75874 1/20 0.42
▸ NRAS P01111 2/20 0.42

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
SCHEMBL24231604 1.00 FLT3 (0.58) FLT3CCNT1USP30FGFR3KDR
SCHEMBL24232046 0.91 FLT3 (0.47) FLT3CCNT1USP30IRAK4IDH1
SCHEMBL24231985 0.89 FLT3 (0.46) FLT3CCNT1USP30IRAK4IDH1
SCHEMBL24231649 0.89 FLT3 (0.48) FLT3CCNT1USP30IRAK4IDH1
SCHEMBL24231463 0.89 IRAK4 (0.48) FLT3CCNT1USP30IRAK4IDH1
SCHEMBL24542412 0.89 FLT3 (0.50) FLT3CCNT1USP30IRAK4IRAK1
SCHEMBL24231865 0.88 IRAK4 (0.56) FLT3CCNT1USP30IRAK4
SCHEMBL24231990 0.88 FLT3 (0.46) FLT3CCNT1USP30IRAK4IDH1
SCHEMBL24231950 0.88 FLT3 (0.51) FLT3CCNT1USP30IRAK4IDH1
SCHEMBL24231687 0.87 CCNT1 (0.45) FLT3CCNT1USP30IRAK4IDH1

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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