SCHEMBL24574159

SCHEMBL24574159

CC(C)(C)OC(=O)N1CCC(Nc2cccc(-c3cnc4cnc(C(C)(C)O)cn34)n2)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 7/20 0.51
▸ IRAK4 Q9NWZ3 7/20 0.46
▸ USP30 Q70CQ3 2/20 0.46
▸ IDH1 O75874 2/20 0.45
▸ CCNT1 O60563 1/20 0.44
▸ NRAS P01111 2/20 0.42
▸ SYK P43405 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ RET P07949 1/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ CDK7 P50613 1/20 0.41
▸ BLK P51451 1/20 0.41
▸ IRAK1 P51617 1/20 0.41
▸ CCNH P51946 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ IDH2 P48735 1/20 0.41

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
SCHEMBL24574154 1.00 FLT3 (0.51) FLT3IRAK4USP30IDH1CCNT1
SCHEMBL24574190 0.94 FLT3 (0.51) FLT3IRAK4USP30IDH1CCNT1
SCHEMBL24574149 0.92 FLT3 (0.48) FLT3IRAK4USP30IDH1CCNT1
SCHEMBL24574511 0.88 FLT3 (0.53) FLT3IRAK4USP30IDH1CCNT1
SCHEMBL19918240 0.87 FLT3 (0.51) FLT3IRAK4USP30IDH1CCNT1
SCHEMBL24574153 0.87 FLT3 (0.49) FLT3IRAK4USP30IDH1CCNT1
SCHEMBL24574586 0.87 FLT3 (0.49) FLT3IRAK4USP30IDH1CCNT1
SCHEMBL24574020 0.86 FLT3 (0.49) FLT3IRAK4USP30IDH1CCNT1
SCHEMBL24231686 0.86 IRAK4 (0.62) FLT3IRAK4USP30CCNT1NRAS
SCHEMBL24574169 0.86 USP30 (0.47) FLT3IRAK4USP30IDH1CCNT1

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-2022140647-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2022-06-30 — — WO disclosed
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