SCHEMBL27369580

SCHEMBL27369580

CC(C)(O)c1cn2c(-c3cccc(NC4CNCCC4F)n3)cnc2cn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 15/20 0.52
FLT3 P36888 10/20 0.52
IRAK1 P51617 6/20 0.52
NRAS P01111 4/20 0.52
PDGFRB P09619 4/20 0.48
CDK7 P50613 4/20 0.48
CCNH P51946 4/20 0.48
LCK P06239 3/20 0.48
RET P07949 3/20 0.48
BLK P51451 2/20 0.48
SRPK1 Q96SB4 1/20 0.48

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
SCHEMBL24573983 1.00 IRAK4 (0.52) IRAK4FLT3IRAK1NRASPDGFRB
SCHEMBL31068068 1.00 IRAK4 (0.52) IRAK4FLT3IRAK1NRASPDGFRB
SCHEMBL27369771 0.93 IRAK4 (0.53) IRAK4FLT3IRAK1NRASPDGFRB
SCHEMBL24573999 0.93 IRAK4 (0.53) IRAK4FLT3IRAK1NRASPDGFRB
SCHEMBL31068078 0.92 IRAK4 (0.49) IRAK4FLT3IRAK1NRASPDGFRB
SCHEMBL24574000 0.92 IRAK4 (0.49) IRAK4FLT3IRAK1NRASPDGFRB
SCHEMBL27362525 0.92 IRAK4 (0.49) IRAK4FLT3IRAK1NRASPDGFRB
SCHEMBL24573964 0.92 FLT3 (0.50) IRAK4FLT3IRAK1NRASPDGFRB
SCHEMBL31068059 0.92 FLT3 (0.50) IRAK4FLT3IRAK1NRASPDGFRB
SCHEMBL27368893 0.92 FLT3 (0.50) IRAK4FLT3IRAK1NRASPDGFRB

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-2023250431-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-12-28 WO disclosed