SCHEMBL25992854

SCHEMBL25992854

CC(O)(c1ccc2ncc(-c3nc(NC4CCCNC4)ccc3F)n2c1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 12/20 0.52
FLT3 P36888 9/20 0.52
IRAK1 P51617 2/20 0.52
LCK P06239 1/20 0.52
RET P07949 1/20 0.52
PDGFRB P09619 1/20 0.52
CDK7 P50613 1/20 0.52
BLK P51451 1/20 0.52
CCNH P51946 1/20 0.52
SRPK1 Q96SB4 1/20 0.52
NRAS P01111 7/20 0.45
EIF2AK4 Q9P2K8 1/20 0.40

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
SCHEMBL25998143 1.00 IRAK4 (0.52) IRAK4FLT3IRAK1LCKRET
SCHEMBL25989138 1.00 IRAK4 (0.52) IRAK4FLT3IRAK1LCKRET
SCHEMBL25989139 1.00 IRAK4 (0.52) IRAK4FLT3IRAK1LCKRET
SCHEMBL25992779 0.88 FLT3 (0.57) IRAK4FLT3IRAK1LCKRET
SCHEMBL26004803 0.88 FLT3 (0.57) IRAK4FLT3IRAK1LCKRET
SCHEMBL25989134 0.88 FLT3 (0.57) IRAK4FLT3IRAK1LCKRET
SCHEMBL25998223 0.87 FLT3 (0.52) IRAK4FLT3IRAK1LCKRET
SCHEMBL25988960 0.87 FLT3 (0.42) IRAK4FLT3IRAK1LCKRET
SCHEMBL25988957 0.87 FLT3 (0.42) IRAK4FLT3IRAK1LCKRET
SCHEMBL25992857 0.87 FLT3 (0.52) IRAK4FLT3IRAK1LCKRET

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023150601-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-08-10 WO disclosed