SCHEMBL24975942

SCHEMBL24975942

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.47
IRAK4 Q9NWZ3 3/20 0.47
KDR P35968 10/20 0.44
CSF1R P07333 8/20 0.44
FLT3 P36888 6/20 0.44
KIT P10721 3/20 0.44
CYP2D6 P10635 1/20 0.44
KCNH2 Q12809 1/20 0.44
MAPK9 P45984 3/20 0.40
JUN P05412 1/20 0.39
CDK2 P24941 1/20 0.39
MAPK10 P53779 1/20 0.39
MAPK1 P28482 1/20 0.37

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
SCHEMBL31557802 1.00 MAPK8 (0.47) MAPK8IRAK4KDRCSF1RFLT3
SCHEMBL24975667 0.93 FLT3 (0.45) MAPK8IRAK4KDRCSF1RFLT3
SCHEMBL31557793 0.93 FLT3 (0.45) MAPK8IRAK4KDRCSF1RFLT3
SCHEMBL31557801 0.90 MAPK8 (0.49) MAPK8IRAK4KDRCSF1RFLT3
SCHEMBL24975708 0.90 MAPK8 (0.49) MAPK8IRAK4KDRCSF1RFLT3
SCHEMBL24975706 0.88 FLT3 (0.54) MAPK8IRAK4KDRCSF1RFLT3
SCHEMBL31557786 0.88 FLT3 (0.54) MAPK8IRAK4KDRCSF1RFLT3
SCHEMBL24975899 0.88 MAPK8 (0.48) MAPK8IRAK4KDRCSF1RFLT3
SCHEMBL30621279 0.88 MAPK8 (0.48) MAPK8IRAK4KDRCSF1RFLT3
SCHEMBL24976617 0.87 MAPK8 (0.49) MAPK8IRAK4KDRCSF1RFLT3

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