SCHEMBL24231607

SCHEMBL24231607

CC(C)Oc1cc2ncc(-c3cccc(NC4CCCN(C(=O)OC(C)(C)C)C4)n3)n2cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 10/20 0.45
▸ NRAS P01111 7/20 0.44
▸ TRPV3 Q8NET8 2/20 0.43
▸ CCNT1 O60563 1/20 0.42
▸ IRAK4 Q9NWZ3 5/20 0.41
▸ IRAK1 P51617 3/20 0.41
▸ PDGFRB P09619 2/20 0.41
▸ CDK7 P50613 2/20 0.41
▸ CCNH P51946 2/20 0.41
▸ LCK P06239 1/20 0.41
▸ RET P07949 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ IDH1 O75874 1/20 0.40
▸ KDR P35968 2/20 0.40
▸ CHEK2 O96017 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ DDR1 Q08345 1/20 0.40
▸ NTRK3 Q16288 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
SCHEMBL24231868 0.89 FLT3 (0.40) FLT3NRASTRPV3CCNT1IRAK4
SCHEMBL24231787 0.89 FLT3 (0.40) FLT3NRASTRPV3CCNT1IRAK4
SCHEMBL24574400 0.88 FLT3 (0.47) FLT3NRASTRPV3CCNT1IRAK4
SCHEMBL24574401 0.88 FLT3 (0.47) FLT3NRASTRPV3CCNT1IRAK4
SCHEMBL24231560 0.88 FLT3 (0.49) FLT3NRASCCNT1IRAK4IRAK1
SCHEMBL24574166 0.83 FLT3 (0.49) FLT3NRASCCNT1IRAK4IRAK1
SCHEMBL24573975 0.83 FLT3 (0.54) FLT3NRASCCNT1IRAK4IRAK1
SCHEMBL24573973 0.83 FLT3 (0.54) FLT3NRASCCNT1IRAK4IRAK1
SCHEMBL24574133 0.83 FLT3 (0.47) FLT3TRPV3CCNT1IRAK4IRAK1
SCHEMBL24574132 0.83 FLT3 (0.47) FLT3TRPV3CCNT1IRAK4IRAK1

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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