SCHEMBL25998064

SCHEMBL25998064

CC(C)(C)OC(=O)N1CCCC(Nc2nc(-c3cnc4ccc(C(C)(O)C(F)(F)F)cn34)ccc2F)C1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK4 Q9P2K8 14/20 0.44
▸ HDAC4 P56524 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.39
▸ FLT3 P36888 1/20 0.38
▸ TRPV3 Q8NET8 1/20 0.38
▸ PIM1 P11309 2/20 0.37
▸ PIM2 Q9P1W9 2/20 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
SCHEMBL25338902 0.89 EIF2AK4 (0.43) EIF2AK4FLT3TRPV3
SCHEMBL31000078 0.88 EIF2AK4 (0.46) EIF2AK4HDAC4HDAC6TRPV1
SCHEMBL31000122 0.87 EIF2AK4 (0.43) EIF2AK4HDAC4HDAC6TRPV1FLT3
SCHEMBL24231691 0.82 SYK (0.43) EIF2AK4HDAC4HDAC6FLT3
SCHEMBL25989141 0.80 FLT3 (0.52) FLT3
SCHEMBL25992857 0.80 FLT3 (0.52) FLT3
SCHEMBL25998223 0.80 FLT3 (0.52) FLT3
SCHEMBL25989142 0.80 FLT3 (0.52) FLT3
SCHEMBL25335157 0.80 EIF2AK4 (0.42) EIF2AK4FLT3
SCHEMBL1995228 0.79 EIF2AK4 (0.44) EIF2AK4HDAC4HDAC6

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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