SCHEMBL27369350

SCHEMBL27369350

CC(C)(O)c1cn2c(-c3nc(NC4CNCC4F)ccc3F)cnc2cn1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 19/20 0.44
▸ NRAS P01111 5/20 0.41
▸ IRAK4 Q9NWZ3 6/20 0.38
▸ IRAK1 P51617 3/20 0.34
▸ LCK P06239 2/20 0.33
▸ RET P07949 2/20 0.33
▸ PDGFRB P09619 2/20 0.33
▸ CDK7 P50613 2/20 0.33
▸ BLK P51451 2/20 0.33
▸ CCNH P51946 2/20 0.33
▸ SRPK1 Q96SB4 1/20 0.33

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
SCHEMBL27368266 1.00 FLT3 (0.44) FLT3NRASIRAK4IRAK1LCK
SCHEMBL27368394 0.92 FLT3 (0.40) FLT3NRASIRAK4IRAK1LCK
SCHEMBL27370364 0.92 FLT3 (0.40) FLT3NRASIRAK4IRAK1LCK
SCHEMBL31000223 0.87 FLT3 (0.37) FLT3NRASIRAK4CDK7CCNH
SCHEMBL24574347 0.86 FLT3 (0.51) FLT3NRASIRAK4
SCHEMBL27369249 0.86 FLT3 (0.51) FLT3NRASIRAK4
SCHEMBL27368267 0.86 FLT3 (0.43) FLT3NRASIRAK4IRAK1LCK
SCHEMBL31068059 0.86 FLT3 (0.50) FLT3NRASIRAK4IRAK1LCK
SCHEMBL24573964 0.86 FLT3 (0.50) FLT3NRASIRAK4IRAK1LCK
SCHEMBL27368893 0.86 FLT3 (0.50) FLT3NRASIRAK4IRAK1LCK

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-2023250431-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-12-28 — — WO disclosed
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