SCHEMBL27332869

SCHEMBL27332869

COc1cc2ncc(-c3cccc(NC4CNCCC4F)n3)n2nc1C(C)(C)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 15/20 0.54
▸ NRAS P01111 13/20 0.54
▸ IRAK4 Q9NWZ3 7/20 0.49
▸ IRAK1 P51617 4/20 0.49
▸ PDGFRB P09619 2/20 0.49
▸ CDK7 P50613 2/20 0.49
▸ CCNH P51946 2/20 0.49
▸ LCK P06239 1/20 0.49
▸ RET P07949 1/20 0.49
▸ CHEK2 O96017 1/20 0.48
▸ ABL1 P00519 1/20 0.48
▸ PDGFRA P16234 1/20 0.48
▸ FLT4 P35916 1/20 0.48
▸ KDR P35968 1/20 0.48
▸ DDR1 Q08345 1/20 0.48
▸ NTRK3 Q16288 1/20 0.48
▸ AURKB Q96GD4 1/20 0.48

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
SCHEMBL24542241 1.00 FLT3 (0.54) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL30862289 1.00 FLT3 (0.54) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL27332711 0.93 FLT3 (0.52) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL30862282 0.93 FLT3 (0.52) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL24542644 0.93 FLT3 (0.52) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL27331190 0.93 FLT3 (0.48) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL27331211 0.93 FLT3 (0.48) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL24542458 0.93 FLT3 (0.48) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL30862283 0.93 FLT3 (0.48) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL31000175 0.88 FLT3 (0.40) FLT3NRASIRAK4IRAK1PDGFRB

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-2023245123-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-12-21 — — WO disclosed
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