SCHEMBL31000238

SCHEMBL31000238

CC(O)(c1ccc2ncc(-c3cncc(N[C@@H]4CCCNC4)n3)n2c1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 12/20 0.54
FLT3 P36888 12/20 0.54
IRAK1 P51617 4/20 0.54
LCK P06239 3/20 0.54
RET P07949 3/20 0.54
PDGFRB P09619 3/20 0.54
CDK7 P50613 3/20 0.54
CCNH P51946 3/20 0.54
BLK P51451 2/20 0.54
SRPK1 Q96SB4 1/20 0.54
NRAS P01111 7/20 0.47

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
SCHEMBL10239892 0.91 FLT3 (0.57) IRAK4FLT3IRAK1LCKRET
SCHEMBL376565 0.89 FLT3 (0.58) IRAK4FLT3IRAK1LCKRET
SCHEMBL24976224 0.87 FLT3 (0.50) IRAK4FLT3IRAK1LCKRET
SCHEMBL24975679 0.87 FLT3 (0.50) IRAK4FLT3IRAK1LCKRET
SCHEMBL30248355 0.87 FLT3 (0.50) IRAK4FLT3IRAK1LCKRET
SCHEMBL31000113 0.86 IRAK4 (0.51) IRAK4FLT3IRAK1LCKRET
SCHEMBL25989138 0.85 IRAK4 (0.52) IRAK4FLT3IRAK1LCKRET
SCHEMBL25998143 0.85 IRAK4 (0.52) IRAK4FLT3IRAK1LCKRET
SCHEMBL25992854 0.85 IRAK4 (0.52) IRAK4FLT3IRAK1LCKRET
SCHEMBL25989139 0.85 IRAK4 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658659-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF Children's Hospital Medical Center (US) 2025-12-10 EP disclosed
WO-2024163764-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2024-08-08 WO disclosed