SCHEMBL25990096

SCHEMBL25990096

COc1ccc2ncc(-c3cccc(NC4CNCC4F)n3)n2c1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 9/20 0.78
FLT3 P36888 16/20 0.57
NRAS P01111 6/20 0.56
IRAK1 P51617 4/20 0.50
LCK P06239 2/20 0.49
RET P07949 2/20 0.49
PDGFRB P09619 2/20 0.49
CDK7 P50613 2/20 0.49
BLK P51451 2/20 0.49
CCNH P51946 2/20 0.49
SRPK1 Q96SB4 1/20 0.48

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
SCHEMBL24231354 1.00 IRAK4 (0.78) IRAK4FLT3NRASIRAK1LCK
SCHEMBL24231349 0.93 IRAK4 (0.73) IRAK4FLT3NRASIRAK1LCK
SCHEMBL25990964 0.93 IRAK4 (0.73) IRAK4FLT3NRASIRAK1LCK
SCHEMBL24231388 0.89 IRAK4 (0.61) IRAK4FLT3NRASIRAK1LCK
SCHEMBL25990137 0.89 IRAK4 (0.61) IRAK4FLT3NRASIRAK1LCK
SCHEMBL25990136 0.89 IRAK4 (0.61) IRAK4FLT3NRASIRAK1LCK
SCHEMBL24231453 0.89 IRAK4 (0.61) IRAK4FLT3NRASIRAK1LCK
SCHEMBL24231419 0.89 IRAK4 (0.75) IRAK4FLT3NRASIRAK1LCK
SCHEMBL25990097 0.89 IRAK4 (0.75) IRAK4FLT3NRASIRAK1LCK
SCHEMBL24231342 0.88 IRAK4 (0.78) IRAK4FLT3NRASIRAK1LCK

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