SCHEMBL25998145

SCHEMBL25998145

CC(O)(c1ccc2ncc(-c3nc(N[C@H]4CNCC[C@@H]4F)ccc3F)n2c1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 8/20 0.42
▸ IRAK4 Q9NWZ3 13/20 0.40
▸ NRAS P01111 4/20 0.40
▸ IRAK1 P51617 4/20 0.40
▸ EIF2AK4 Q9P2K8 3/20 0.38
▸ LCK P06239 2/20 0.37
▸ RET P07949 2/20 0.37
▸ PDGFRB P09619 2/20 0.37
▸ CDK7 P50613 2/20 0.37
▸ BLK P51451 2/20 0.37
▸ CCNH P51946 2/20 0.37
▸ SRPK1 Q96SB4 1/20 0.37

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
SCHEMBL25988960 1.00 FLT3 (0.42) FLT3IRAK4NRASIRAK1EIF2AK4
SCHEMBL25988957 1.00 FLT3 (0.42) FLT3IRAK4NRASIRAK1EIF2AK4
SCHEMBL25992532 1.00 FLT3 (0.42) FLT3IRAK4NRASIRAK1EIF2AK4
SCHEMBL25993183 0.93 FLT3 (0.46) FLT3IRAK4NRASIRAK1EIF2AK4
SCHEMBL25998142 0.93 FLT3 (0.46) FLT3IRAK4NRASIRAK1EIF2AK4
SCHEMBL25989350 0.93 FLT3 (0.46) FLT3IRAK4NRASIRAK1EIF2AK4
SCHEMBL25989348 0.93 FLT3 (0.46) FLT3IRAK4NRASIRAK1EIF2AK4
SCHEMBL31000154 0.89 CDK7 (0.41) FLT3IRAK4NRASIRAK1EIF2AK4
SCHEMBL24231327 0.89 FLT3 (0.50) FLT3IRAK4NRASIRAK1EIF2AK4
SCHEMBL24231381 0.89 FLT3 (0.50) FLT3IRAK4NRASIRAK1EIF2AK4

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
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