SCHEMBL24976035

SCHEMBL24976035

CC(C)Oc1ccn2c(-c3cncc(NC4CCCNC4)n3)cnc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 14/20 0.54
IRAK4 Q9NWZ3 8/20 0.53
NRAS P01111 9/20 0.47
IRAK1 P51617 5/20 0.47
PDGFRB P09619 3/20 0.47
CDK7 P50613 3/20 0.47
CCNH P51946 3/20 0.47
LCK P06239 2/20 0.47
RET P07949 2/20 0.47
BLK P51451 1/20 0.47
SRPK1 Q96SB4 1/20 0.47
KDR P35968 3/20 0.43
CSF1R P07333 2/20 0.43
CHEK2 O96017 1/20 0.41
ABL1 P00519 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT4 P35916 1/20 0.41
DDR1 Q08345 1/20 0.41
NTRK3 Q16288 1/20 0.41
AURKB Q96GD4 1/20 0.41

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
SCHEMBL24231303 1.00 FLT3 (0.54) FLT3IRAK4NRASIRAK1PDGFRB
SCHEMBL24977195 0.95 FLT3 (0.56) FLT3IRAK4NRASIRAK1PDGFRB
SCHEMBL24975938 0.91 IRAK4 (0.53) FLT3IRAK4NRASIRAK1PDGFRB
SCHEMBL376164 0.91 FLT3 (0.66) FLT3IRAK4NRASIRAK1PDGFRB
SCHEMBL10238387 0.91 FLT3 (0.53) FLT3IRAK4NRASIRAK1PDGFRB
SCHEMBL10239487 0.91 FLT3 (0.51) FLT3IRAK4NRASIRAK1PDGFRB
SCHEMBL24231264 0.90 IRAK4 (0.68) FLT3IRAK4NRASIRAK1PDGFRB
SCHEMBL386046 0.89 FLT3 (0.51) FLT3IRAK4NRASIRAK1PDGFRB
SCHEMBL386045 0.89 FLT3 (0.51) FLT3IRAK4NRASIRAK1PDGFRB
SCHEMBL10238535 0.88 FLT3 (0.51) FLT3IRAK4NRASIRAK1PDGFRB

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