SCHEMBL24975665

SCHEMBL24975665

FC(F)Oc1ccn2c(-c3ccnc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.47
MAPK8 P45983 4/20 0.44
IRAK4 Q9NWZ3 4/20 0.44
MAPK9 P45984 3/20 0.40
MAPK10 P53779 2/20 0.40
CDK2 P24941 2/20 0.40
JUN P05412 1/20 0.40
KDR P35968 7/20 0.39
CSF1R P07333 5/20 0.39
KIT P10721 3/20 0.39
CYP2D6 P10635 1/20 0.39
KCNH2 Q12809 1/20 0.39
IGF1R P08069 1/20 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
SCHEMBL31557789 1.00 FLT3 (0.47) FLT3MAPK8IRAK4MAPK9MAPK10
SCHEMBL31557801 0.92 MAPK8 (0.49) FLT3MAPK8IRAK4MAPK9MAPK10
SCHEMBL24975708 0.92 MAPK8 (0.49) FLT3MAPK8IRAK4MAPK9MAPK10
SCHEMBL24231275 0.92 FLT3 (0.48) FLT3MAPK8IRAK4MAPK9MAPK10
SCHEMBL30248551 0.92 FLT3 (0.48) FLT3MAPK8IRAK4MAPK9MAPK10
SCHEMBL24975667 0.90 FLT3 (0.45) FLT3MAPK8IRAK4MAPK9MAPK10
SCHEMBL31557793 0.90 FLT3 (0.45) FLT3MAPK8IRAK4MAPK9MAPK10
SCHEMBL31557817 0.89 FLT3 (0.59) FLT3MAPK8IRAK4MAPK9MAPK10
SCHEMBL24975666 0.89 FLT3 (0.59) FLT3MAPK8IRAK4MAPK9MAPK10
SCHEMBL24975662 0.88 FLT3 (0.47) FLT3MAPK8IRAK4MAPK9MAPK10

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