SCHEMBL24231683

SCHEMBL24231683

FC(F)(F)c1ccn2c(-c3cccc(NC4CCNC4)n3)cnc2c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 9/20 0.70
FLT3 P36888 17/20 0.62
NRAS P01111 7/20 0.62
IRAK1 P51617 6/20 0.61
PDGFRB P09619 4/20 0.56
CDK7 P50613 4/20 0.56
CCNH P51946 4/20 0.56
CHEK2 O96017 1/20 0.55
ABL1 P00519 1/20 0.55
PDGFRA P16234 1/20 0.55
FLT4 P35916 1/20 0.55
KDR P35968 1/20 0.55
DDR1 Q08345 1/20 0.55
NTRK3 Q16288 1/20 0.55
AURKB Q96GD4 1/20 0.55
LCK P06239 2/20 0.55
RET P07949 2/20 0.55
BLK P51451 1/20 0.55
SRPK1 Q96SB4 1/20 0.55

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
SCHEMBL24232141 0.89 IRAK4 (0.68) IRAK4FLT3NRASIRAK1PDGFRB
SCHEMBL376441 0.89 IRAK4 (0.54) IRAK4FLT3NRASIRAK1PDGFRB
SCHEMBL24231839 0.86 IRAK4 (0.65) IRAK4FLT3NRASIRAK1PDGFRB
SCHEMBL24231951 0.85 FLT3 (0.84) IRAK4FLT3NRASIRAK1PDGFRB
SCHEMBL24231948 0.84 IRAK4 (0.65) IRAK4FLT3NRASIRAK1PDGFRB
SCHEMBL24231692 0.84 IRAK4 (0.73) IRAK4FLT3NRASIRAK1PDGFRB
SCHEMBL23683365 0.84 IRAK4 (0.69) IRAK4FLT3NRASIRAK1PDGFRB
SCHEMBL376445 0.83 IRAK4 (0.55) IRAK4FLT3NRASIRAK1PDGFRB
SCHEMBL22145801 0.83 IRAK4 (1.00) IRAK4FLT3NRASIRAK1PDGFRB
SCHEMBL24231723 0.82 IRAK4 (0.67) IRAK4FLT3NRASIRAK1PDGFRB

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-2022026935-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2022-02-03 WO disclosed