SCHEMBL24976243

SCHEMBL24976243

CC(C)(O)c1ccc2ncc(-c3cncc(N[C@H]4CNCC[C@@H]4F)n3)n2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 10/20 0.42
FLT3 P36888 7/20 0.42
IRAK1 P51617 4/20 0.42
NRAS P01111 2/20 0.42
DYRK1A Q13627 4/20 0.40
CLK2 P49760 2/20 0.40
CLK3 P49761 2/20 0.40
LCK P06239 2/20 0.40
RET P07949 2/20 0.40
PDGFRB P09619 2/20 0.40
CDK7 P50613 2/20 0.40
BLK P51451 2/20 0.40
CCNH P51946 2/20 0.40
GSK3B P49841 2/20 0.40
SRPK1 Q96SB4 1/20 0.40
EIF2AK4 Q9P2K8 2/20 0.37

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
SCHEMBL31557811 1.00 IRAK4 (0.42) IRAK4FLT3IRAK1NRASDYRK1A
SCHEMBL31557794 0.92 FLT3 (0.41) IRAK4FLT3IRAK1NRASDYRK1A
SCHEMBL24975947 0.92 FLT3 (0.41) IRAK4FLT3IRAK1NRASDYRK1A
SCHEMBL25990958 0.89 IRAK4 (0.55) IRAK4FLT3IRAK1NRASLCK
SCHEMBL30621237 0.89 IRAK4 (0.55) IRAK4FLT3IRAK1NRASLCK
SCHEMBL24231346 0.89 IRAK4 (0.55) IRAK4FLT3IRAK1NRASLCK
SCHEMBL24976238 0.86 IRAK4 (0.47) IRAK4FLT3IRAK1NRASLCK
SCHEMBL31557799 0.86 IRAK4 (0.47) IRAK4FLT3IRAK1NRASLCK
SCHEMBL376151 0.85 FLT3 (0.42) IRAK4FLT3IRAK1NRASLCK
SCHEMBL376150 0.85 FLT3 (0.42) IRAK4FLT3IRAK1NRASLCK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023009833-A9 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-11-23 WO disclosed
WO-2023009833-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-02-02 WO disclosed