SCHEMBL24976207

SCHEMBL24976207

COc1cc2ncc(-c3ccnc(NC4CCNC4)n3)n2cc1C(C)(O)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 17/20 0.57
NRAS P01111 14/20 0.57
IRAK1 P51617 5/20 0.54
IRAK4 Q9NWZ3 5/20 0.54
PDGFRB P09619 3/20 0.54
CDK7 P50613 3/20 0.54
CCNH P51946 3/20 0.54
LCK P06239 1/20 0.54
RET P07949 1/20 0.54
CHEK2 O96017 1/20 0.51
ABL1 P00519 1/20 0.51
PDGFRA P16234 1/20 0.51
FLT4 P35916 1/20 0.51
KDR P35968 1/20 0.51
DDR1 Q08345 1/20 0.51
NTRK3 Q16288 1/20 0.51
AURKB Q96GD4 1/20 0.51
MAPK8 P45983 1/20 0.47
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46

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
SCHEMBL24975710 0.95 NRAS (0.53) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL31557782 0.95 NRAS (0.53) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL24975889 0.90 FLT3 (0.47) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL24232069 0.88 FLT3 (0.74) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL31557798 0.87 NRAS (0.56) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL24976239 0.87 NRAS (0.56) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL30248471 0.86 FLT3 (0.41) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL24975945 0.86 FLT3 (0.41) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL24975687 0.86 FLT3 (0.58) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL24977200 0.83 FLT3 (0.49) FLT3NRASIRAK1IRAK4PDGFRB

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