SCHEMBL24975706

SCHEMBL24975706

COc1ccn2c(-c3ccnc(N[C@H]4CNCC[C@@H]4F)n3)cnc2c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 8/20 0.54
IRAK4 Q9NWZ3 3/20 0.50
MAPK8 P45983 3/20 0.50
CSF1R P07333 8/20 0.46
KDR P35968 8/20 0.46
KIT P10721 3/20 0.46
CYP2D6 P10635 1/20 0.46
KCNH2 Q12809 1/20 0.46
MKNK1 Q9BUB5 2/20 0.45
MKNK2 Q9HBH9 1/20 0.45
NRAS P01111 2/20 0.43
MAPK9 P45984 2/20 0.42

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
SCHEMBL31557786 1.00 FLT3 (0.54) FLT3IRAK4MAPK8CSF1RKDR
SCHEMBL31557817 0.92 FLT3 (0.59) FLT3IRAK4MAPK8CSF1RKDR
SCHEMBL24975666 0.92 FLT3 (0.59) FLT3IRAK4MAPK8CSF1RKDR
SCHEMBL24975899 0.91 MAPK8 (0.48) FLT3IRAK4MAPK8CSF1RKDR
SCHEMBL30621279 0.91 MAPK8 (0.48) FLT3IRAK4MAPK8CSF1RKDR
SCHEMBL24976617 0.90 MAPK8 (0.49) FLT3IRAK4MAPK8CSF1RKDR
SCHEMBL31557792 0.90 MAPK8 (0.49) FLT3IRAK4MAPK8CSF1RKDR
SCHEMBL31557801 0.90 MAPK8 (0.49) FLT3IRAK4MAPK8CSF1RKDR
SCHEMBL24975708 0.90 MAPK8 (0.49) FLT3IRAK4MAPK8CSF1RKDR
SCHEMBL24975942 0.88 MAPK8 (0.47) FLT3IRAK4MAPK8CSF1RKDR

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