SCHEMBL24231504

SCHEMBL24231504

CC(C)(C)OC(=O)N1CCC(Nc2cccc(-c3cnc4cc(OCC(F)(F)F)ccn34)n2)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 6/20 0.49
▸ CCNT1 O60563 1/20 0.46
▸ NEK2 P51955 2/20 0.44
▸ IDH1 O75874 2/20 0.44
▸ FGFR3 P22607 2/20 0.43
▸ KDR P35968 2/20 0.43
▸ SYK P43405 1/20 0.43
▸ SCN9A Q15858 1/20 0.42
▸ USP30 Q70CQ3 3/20 0.42
▸ IDH2 P48735 1/20 0.40
▸ LIPE Q05469 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40

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
SCHEMBL24231588 0.91 FLT3 (0.51) FLT3CCNT1NEK2IDH1FGFR3
SCHEMBL24232135 0.89 FLT3 (0.51) FLT3CCNT1NEK2IDH1FGFR3
SCHEMBL24231950 0.89 FLT3 (0.51) FLT3CCNT1NEK2IDH1USP30
SCHEMBL24574365 0.87 FLT3 (0.48) FLT3CCNT1IDH1FGFR3KDR
SCHEMBL24231595 0.87 FLT3 (0.46) FLT3CCNT1NEK2FGFR3KDR
SCHEMBL24231604 0.86 FLT3 (0.58) FLT3CCNT1IDH1FGFR3KDR
SCHEMBL24231869 0.86 FLT3 (0.58) FLT3CCNT1IDH1FGFR3KDR
SCHEMBL24232046 0.85 FLT3 (0.47) FLT3CCNT1IDH1SYKUSP30
SCHEMBL24231649 0.85 FLT3 (0.48) FLT3CCNT1IDH1USP30IRAK4
SCHEMBL24231463 0.85 IRAK4 (0.48) FLT3CCNT1IDH1SCN9AUSP30

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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