SCHEMBL24231990

SCHEMBL24231990

CNC(=O)c1ccn2c(-c3cccc(NC4CCN(C(=O)OC(C)(C)C)C4)n3)cnc2c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 6/20 0.46
▸ USP30 Q70CQ3 6/20 0.46
▸ CCNT1 O60563 1/20 0.44
▸ IDH1 O75874 1/20 0.43
▸ IRAK4 Q9NWZ3 3/20 0.42
▸ GPR119 Q8TDV5 1/20 0.42
▸ BTK Q06187 1/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ NRAS P01111 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
SCHEMBL24231574 0.95 USP30 (0.47) FLT3USP30CCNT1IRAK4IGF1R
SCHEMBL24231590 0.95 USP30 (0.47) FLT3USP30CCNT1IRAK4IGF1R
SCHEMBL24231463 0.91 IRAK4 (0.48) FLT3USP30CCNT1IDH1IRAK4
SCHEMBL24231649 0.91 FLT3 (0.48) FLT3USP30CCNT1IDH1IRAK4
SCHEMBL24231733 0.89 FGFR3 (0.40) FLT3USP30CCNT1IDH1IRAK4
SCHEMBL24231604 0.88 FLT3 (0.58) FLT3USP30CCNT1IDH1IRAK4
SCHEMBL24231869 0.88 FLT3 (0.58) FLT3USP30CCNT1IDH1IRAK4
SCHEMBL24232046 0.87 FLT3 (0.47) FLT3USP30CCNT1IDH1IRAK4
SCHEMBL25997411 0.87 FLT3 (0.47) FLT3USP30CCNT1IRAK4NRAS
SCHEMBL24231985 0.87 FLT3 (0.46) FLT3USP30CCNT1IDH1IRAK4

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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