SCHEMBL24977159

SCHEMBL24977159

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.41
MAPK8 P45983 4/20 0.41
MAPK9 P45984 3/20 0.39
MAPK10 P53779 2/20 0.39
JUN P05412 1/20 0.39
CDK2 P24941 1/20 0.39
FLT3 P36888 14/20 0.38
NRAS P01111 4/20 0.38
IRAK1 P51617 1/20 0.34

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
SCHEMBL24976678 0.81 IRAK4 (0.40) IRAK4MAPK8MAPK9MAPK10JUN
SCHEMBL31557791 0.81 IRAK4 (0.40) IRAK4MAPK8MAPK9MAPK10JUN
SCHEMBL24977165 0.81 IRAK4 (0.52) IRAK4MAPK8MAPK9MAPK10JUN
SCHEMBL31557784 0.81 MAPK8 (0.43) IRAK4MAPK8MAPK9MAPK10JUN
SCHEMBL24975946 0.81 MAPK8 (0.43) IRAK4MAPK8MAPK9MAPK10JUN
SCHEMBL27368889 0.78 FLT3 (0.53) IRAK4FLT3NRASIRAK1
SCHEMBL24573956 0.78 FLT3 (0.53) IRAK4FLT3NRASIRAK1
SCHEMBL30248551 0.78 FLT3 (0.48) IRAK4MAPK8MAPK9MAPK10JUN
SCHEMBL24231275 0.78 FLT3 (0.48) IRAK4MAPK8MAPK9MAPK10JUN
SCHEMBL24976680 0.77 IRAK4 (0.39) IRAK4MAPK8MAPK9MAPK10JUN

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