SCHEMBL24975668

SCHEMBL24975668

FC(F)COc1ccn2c(-c3cncc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.49
KDR P35968 11/20 0.40
CSF1R P07333 8/20 0.40
KIT P10721 3/20 0.40
CYP2D6 P10635 1/20 0.40
KCNH2 Q12809 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.37
DYRK1A Q13627 3/20 0.36
CLK2 P49760 2/20 0.36
CLK3 P49761 2/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL24975939 0.92 FLT3 (0.45) FLT3KDRCSF1RKITCYP2D6
SCHEMBL24231241 0.89 FLT3 (0.60) FLT3KDRCSF1RKITCYP2D6
SCHEMBL25989836 0.89 FLT3 (0.60) FLT3KDRCSF1RKITCYP2D6
SCHEMBL24975661 0.89 FLT3 (0.50) FLT3KDRCSF1RKITCYP2D6
SCHEMBL24975663 0.88 FLT3 (0.62) FLT3KDRCSF1RKITCYP2D6
SCHEMBL24231493 0.86 FLT3 (0.52) FLT3KDRCSF1RKITCYP2D6
SCHEMBL24975667 0.86 FLT3 (0.45) FLT3KDRCSF1RKITCYP2D6
SCHEMBL31557793 0.86 FLT3 (0.45) FLT3KDRCSF1RKITCYP2D6
SCHEMBL24975664 0.85 FLT3 (0.50) FLT3KDRCSF1RKITCYP2D6
SCHEMBL24975937 0.83 IRAK4 (0.51) FLT3KDRCSF1RKITCYP2D6

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