SCHEMBL24975945

SCHEMBL24975945

COc1cc2ncc(-c3ccnc(N[C@H]4CNC[C@@H]4F)n3)n2cc1C(C)(O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 13/20 0.41
NRAS P01111 11/20 0.41
IRAK4 Q9NWZ3 4/20 0.40
IRAK1 P51617 3/20 0.40
PDGFRB P09619 2/20 0.40
CDK7 P50613 2/20 0.40
CCNH P51946 2/20 0.40
LCK P06239 1/20 0.40
RET P07949 1/20 0.40
CHEK2 O96017 1/20 0.37
ABL1 P00519 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
DDR1 Q08345 1/20 0.37
NTRK3 Q16288 1/20 0.37
AURKB Q96GD4 1/20 0.37
IGF1R P08069 1/20 0.37
MAPK8 P45983 3/20 0.36
MAPK9 P45984 3/20 0.35

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
SCHEMBL30248471 1.00 FLT3 (0.41) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL24975889 0.93 FLT3 (0.47) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL31557783 0.93 FLT3 (0.43) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL24975943 0.93 FLT3 (0.43) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL29370146 0.89 FLT3 (0.54) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL25990612 0.89 FLT3 (0.54) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL24232129 0.89 FLT3 (0.54) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL24231370 0.89 FLT3 (0.54) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL25990613 0.89 FLT3 (0.54) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL26661912 0.87 FLT3 (0.40) FLT3NRASIRAK4IRAK1PDGFRB

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 3 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-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