SCHEMBL24574020

SCHEMBL24574020

CC(C)(C)OC(=O)N1CCC(Nc2cccc(-c3cnc4cnc(C5(C)CC5)cn34)n2)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 6/20 0.49
▸ IDH1 O75874 2/20 0.45
▸ IRAK4 Q9NWZ3 6/20 0.44
▸ CCNT1 O60563 1/20 0.44
▸ USP30 Q70CQ3 3/20 0.44
▸ SYK P43405 1/20 0.42
▸ IDH2 P48735 1/20 0.41
▸ NRAS P01111 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ RET P07949 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ CDK7 P50613 1/20 0.40
▸ BLK P51451 1/20 0.40
▸ IRAK1 P51617 1/20 0.40
▸ CCNH P51946 1/20 0.40
▸ BTK Q06187 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
SCHEMBL24574585 0.90 FLT3 (0.47) FLT3IDH1IRAK4CCNT1USP30
SCHEMBL24231809 0.90 FLT3 (0.52) FLT3IDH1IRAK4CCNT1USP30
SCHEMBL29748482 0.88 FLT3 (0.53) FLT3IRAK4NRASLCKRET
SCHEMBL24574190 0.87 FLT3 (0.51) FLT3IDH1IRAK4CCNT1USP30
SCHEMBL24231434 0.86 FLT3 (0.51) FLT3IDH1IRAK4CCNT1USP30
SCHEMBL24574159 0.86 FLT3 (0.51) FLT3IDH1IRAK4CCNT1USP30
SCHEMBL24574511 0.86 FLT3 (0.53) FLT3IDH1IRAK4CCNT1USP30
SCHEMBL24574154 0.86 FLT3 (0.51) FLT3IDH1IRAK4CCNT1USP30
SCHEMBL24231687 0.86 CCNT1 (0.45) FLT3IDH1IRAK4CCNT1USP30
SCHEMBL19918240 0.85 FLT3 (0.51) FLT3IDH1IRAK4CCNT1USP30

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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