SCHEMBL27327583

SCHEMBL27327583

COc1cc2ncc(-c3nc(N[C@H]4CNCC[C@@H]4F)c(F)cc3F)n2nc1C1COC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 11/20 0.47
▸ NRAS P01111 10/20 0.47
▸ FYN P06241 3/20 0.33
▸ IRAK4 Q9NWZ3 6/20 0.32
▸ IRAK1 P51617 3/20 0.32
▸ CDK7 P50613 3/20 0.32
▸ CCNH P51946 3/20 0.32
▸ PDGFRB P09619 2/20 0.32
▸ LCK P06239 1/20 0.32
▸ RET P07949 1/20 0.32
▸ CHEK2 O96017 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ PDGFRA P16234 1/20 0.31
▸ FLT4 P35916 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ DDR1 Q08345 1/20 0.31
▸ NTRK3 Q16288 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31
▸ CCNT1 O60563 1/20 0.30
▸ CCNK O75909 1/20 0.30

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
SCHEMBL27330272 1.00 FLT3 (0.47) FLT3NRASFYNIRAK4IRAK1
SCHEMBL27332857 0.94 FLT3 (0.49) FLT3NRASFYNIRAK4IRAK1
SCHEMBL24542245 0.94 FLT3 (0.49) FLT3NRASFYNIRAK4IRAK1
SCHEMBL27331057 0.93 NRAS (0.42) FLT3NRASFYN
SCHEMBL27331055 0.93 NRAS (0.42) FLT3NRASFYN
SCHEMBL30698338 0.93 NRAS (0.42) FLT3NRASFYN
SCHEMBL27330372 0.92 NRAS (0.48) FLT3NRASFYNIRAK4IRAK1
SCHEMBL27330282 0.92 NRAS (0.48) FLT3NRASIRAK4IRAK1CDK7
SCHEMBL31739545 0.92 NRAS (0.48) FLT3NRASIRAK4IRAK1CDK7
SCHEMBL27327754 0.92 NRAS (0.48) FLT3NRASFYNIRAK4IRAK1

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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