SCHEMBL27329552

SCHEMBL27329552

COc1cc2ncc(-c3ccc(F)c(NC4CNCC4F)n3)n2nc1C1CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 15/20 0.37
▸ NRAS P01111 12/20 0.37
▸ IRAK1 P51617 3/20 0.34
▸ IRAK4 Q9NWZ3 3/20 0.34
▸ PDGFRB P09619 2/20 0.34
▸ CDK7 P50613 2/20 0.34
▸ CCNH P51946 2/20 0.34
▸ LCK P06239 1/20 0.34
▸ RET P07949 1/20 0.34
▸ CHEK2 O96017 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ DDR1 Q08345 1/20 0.33
▸ NTRK3 Q16288 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ FYN P06241 2/20 0.33
▸ ROCK2 O75116 1/20 0.32

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
SCHEMBL31739699 1.00 FLT3 (0.37) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL27326947 1.00 FLT3 (0.37) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL27330136 0.94 FLT3 (0.41) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL27327565 0.94 FLT3 (0.41) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL27329555 0.93 FLT3 (0.38) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL31739915 0.93 FLT3 (0.38) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL27326950 0.93 FLT3 (0.38) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL31739830 0.92 FLT3 (0.41) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL27329394 0.92 FLT3 (0.41) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL27326930 0.92 FLT3 (0.41) FLT3NRASIRAK1IRAK4PDGFRB

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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