SCHEMBL24977158

SCHEMBL24977158

O[C@@H](c1cn2c(-c3ccnc(N[C@@H]4CCNC4)n3)cnc2cn1)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 11/20 0.53
MAPK8 P45983 2/20 0.53
FLT3 P36888 13/20 0.49
IRAK1 P51617 7/20 0.49
NRAS P01111 6/20 0.49
MAPK9 P45984 1/20 0.44
PDGFRB P09619 5/20 0.44
CDK7 P50613 5/20 0.44
CCNH P51946 5/20 0.44
LCK P06239 3/20 0.44
RET P07949 3/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
BLK P51451 2/20 0.43
SRPK1 Q96SB4 1/20 0.43
CHEK2 O96017 1/20 0.41
ABL1 P00519 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL24977165 0.83 IRAK4 (0.52) IRAK4MAPK8FLT3IRAK1NRAS
SCHEMBL24977161 0.77 FLT3 (0.49) IRAK4MAPK8FLT3IRAK1NRAS
SCHEMBL30248481 0.77 FLT3 (0.49) IRAK4MAPK8FLT3IRAK1NRAS
SCHEMBL24976668 0.77 FLT3 (0.49) IRAK4MAPK8FLT3IRAK1NRAS
SCHEMBL24975877 0.77 FLT3 (0.49) IRAK4MAPK8FLT3IRAK1NRAS
SCHEMBL24574413 0.76 FLT3 (0.69) IRAK4FLT3IRAK1NRASPDGFRB
SCHEMBL24574346 0.76 FLT3 (0.69) IRAK4FLT3IRAK1NRASPDGFRB
SCHEMBL24976207 0.75 FLT3 (0.57) IRAK4MAPK8FLT3IRAK1NRAS
SCHEMBL31000113 0.74 IRAK4 (0.51) IRAK4MAPK8FLT3IRAK1NRAS
SCHEMBL24976241 0.73 IRAK4 (0.54) IRAK4MAPK8FLT3IRAK1NRAS

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-2023009833-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-02-02 WO disclosed