SCHEMBL24975673

SCHEMBL24975673

CC(O)(c1cn2c(-c3ccnc(N[C@H]4CNCC[C@@H]4F)n3)cnc2cn1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.44
MAPK8 P45983 4/20 0.44
FLT3 P36888 9/20 0.39
NRAS P01111 4/20 0.39
IRAK1 P51617 4/20 0.39
MAPK9 P45984 6/20 0.38
CDK7 P50613 4/20 0.37
CCNH P51946 4/20 0.37
LCK P06239 3/20 0.37
RET P07949 3/20 0.37
PDGFRB P09619 3/20 0.37
CDK2 P24941 3/20 0.37
CCNT1 O60563 2/20 0.37
CCNK O75909 2/20 0.37
CCNE1 P24864 2/20 0.37
CDK9 P50750 2/20 0.37
CDK12 Q9NYV4 2/20 0.37
MNAT1 P51948 1/20 0.37
JUN P05412 1/20 0.36
MAPK10 P53779 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
SCHEMBL31557809 1.00 IRAK4 (0.44) IRAK4MAPK8FLT3NRASIRAK1
SCHEMBL27362416 1.00 IRAK4 (0.44) IRAK4MAPK8FLT3NRASIRAK1
SCHEMBL27362512 1.00 IRAK4 (0.44) IRAK4MAPK8FLT3NRASIRAK1
SCHEMBL31557791 0.92 IRAK4 (0.40) IRAK4MAPK8FLT3NRASMAPK9
SCHEMBL24976678 0.92 IRAK4 (0.40) IRAK4MAPK8FLT3NRASMAPK9
SCHEMBL31068078 0.90 IRAK4 (0.49) IRAK4FLT3NRASIRAK1CDK7
SCHEMBL24574000 0.90 IRAK4 (0.49) IRAK4FLT3NRASIRAK1CDK7
SCHEMBL27362525 0.90 IRAK4 (0.49) IRAK4FLT3NRASIRAK1CDK7
SCHEMBL24975875 0.86 FLT3 (0.38) IRAK4FLT3NRASIRAK1CDK7
SCHEMBL31557810 0.86 FLT3 (0.38) IRAK4FLT3NRASIRAK1CDK7

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