SCHEMBL24977165

SCHEMBL24977165

C[C@@H](O)c1cn2c(-c3ccnc(NC4CCCNC4)n3)cnc2cn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.52
FLT3 P36888 7/20 0.52
CDK7 P50613 5/20 0.52
CCNH P51946 5/20 0.52
IRAK1 P51617 3/20 0.52
LCK P06239 2/20 0.52
RET P07949 2/20 0.52
PDGFRB P09619 2/20 0.52
BLK P51451 1/20 0.52
SRPK1 Q96SB4 1/20 0.52
MAPK8 P45983 5/20 0.49
NRAS P01111 6/20 0.47
MNAT1 P51948 3/20 0.45
MAPK9 P45984 3/20 0.45
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
JUN P05412 1/20 0.42
CDK2 P24941 1/20 0.42
MAPK10 P53779 1/20 0.42

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
SCHEMBL24977167 0.84 FLT3 (0.53) IRAK4FLT3CDK7CCNHIRAK1
SCHEMBL24977158 0.83 IRAK4 (0.53) IRAK4FLT3CDK7CCNHIRAK1
SCHEMBL31557781 0.81 IRAK4 (0.54) IRAK4FLT3CDK7CCNHIRAK1
SCHEMBL24976241 0.81 IRAK4 (0.54) IRAK4FLT3CDK7CCNHIRAK1
SCHEMBL24975877 0.81 FLT3 (0.49) IRAK4FLT3CDK7CCNHIRAK1
SCHEMBL30248481 0.81 FLT3 (0.49) IRAK4FLT3CDK7CCNHIRAK1
SCHEMBL24977161 0.81 FLT3 (0.49) IRAK4FLT3CDK7CCNHIRAK1
SCHEMBL24976668 0.81 FLT3 (0.49) IRAK4FLT3CDK7CCNHIRAK1
SCHEMBL24977159 0.81 IRAK4 (0.41) IRAK4FLT3IRAK1MAPK8NRAS
SCHEMBL31000113 0.78 IRAK4 (0.51) IRAK4FLT3CDK7CCNHIRAK1

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