SCHEMBL24977167

SCHEMBL24977167

C[C@@H](O)c1cn2c(-c3cncc(N[C@@H]4CCCNC4)n3)cnc2cn1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 15/20 0.53
IRAK4 Q9NWZ3 10/20 0.53
IRAK1 P51617 6/20 0.53
PDGFRB P09619 4/20 0.53
CDK7 P50613 4/20 0.53
CCNH P51946 4/20 0.53
LCK P06239 2/20 0.53
RET P07949 2/20 0.53
BLK P51451 1/20 0.53
SRPK1 Q96SB4 1/20 0.53
NRAS P01111 9/20 0.47
CHEK2 O96017 1/20 0.40
ABL1 P00519 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
DDR1 Q08345 1/20 0.40
NTRK3 Q16288 1/20 0.40
AURKB Q96GD4 1/20 0.40

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
SCHEMBL10239502 0.85 FLT3 (0.57) FLT3IRAK4IRAK1PDGFRBCDK7
SCHEMBL24977165 0.84 IRAK4 (0.52) FLT3IRAK4IRAK1PDGFRBCDK7
SCHEMBL10238505 0.82 FLT3 (0.58) FLT3IRAK4IRAK1PDGFRBCDK7
SCHEMBL24975679 0.80 FLT3 (0.50) FLT3IRAK4IRAK1PDGFRBCDK7
SCHEMBL24976224 0.80 FLT3 (0.50) FLT3IRAK4IRAK1PDGFRBCDK7
SCHEMBL30248355 0.80 FLT3 (0.50) FLT3IRAK4IRAK1PDGFRBCDK7
SCHEMBL376686 0.79 IRAK4 (0.59) FLT3IRAK4IRAK1PDGFRBCDK7
SCHEMBL10239817 0.79 FLT3 (0.61) FLT3IRAK4IRAK1PDGFRBCDK7
SCHEMBL10239509 0.79 FLT3 (0.61) FLT3IRAK4IRAK1PDGFRBCDK7
SCHEMBL376738 0.79 FLT3 (0.79) FLT3IRAK4IRAK1PDGFRBCDK7

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