SCHEMBL31000078

SCHEMBL31000078

CC(C)(C)OC(=O)N1CCC[C@@H](Nc2nccc(-c3cnc4ccc(C(C)(O)C(F)(F)F)cn34)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK4 Q9P2K8 13/20 0.46
▸ TRPV1 Q8NER1 1/20 0.43
▸ MAPK9 P45984 3/20 0.42
▸ MAPK10 P53779 2/20 0.42
▸ MAPK8 P45983 2/20 0.42
▸ JUN P05412 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ HDAC4 P56524 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ CCNK O75909 1/20 0.39
▸ CDK12 Q9NYV4 1/20 0.39

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
SCHEMBL24975716 0.90 MAPK9 (0.42) EIF2AK4TRPV1MAPK9MAPK10MAPK8
SCHEMBL30248414 0.90 MAPK9 (0.42) EIF2AK4TRPV1MAPK9MAPK10MAPK8
SCHEMBL24975718 0.90 MAPK9 (0.42) EIF2AK4TRPV1MAPK9MAPK10MAPK8
SCHEMBL25998064 0.88 EIF2AK4 (0.44) EIF2AK4TRPV1HDAC4HDAC6
SCHEMBL31000122 0.87 EIF2AK4 (0.43) EIF2AK4TRPV1HDAC4HDAC6
SCHEMBL24976078 0.82 MAPK9 (0.43) MAPK9MAPK10MAPK8JUNCDK2
SCHEMBL24231691 0.81 SYK (0.43) EIF2AK4HDAC4HDAC6
SCHEMBL26661914 0.81 MAPK9 (0.44) EIF2AK4MAPK9MAPK10MAPK8JUN
SCHEMBL31000113 0.80 IRAK4 (0.51) EIF2AK4MAPK9MAPK10MAPK8JUN
SCHEMBL25338902 0.78 EIF2AK4 (0.43) EIF2AK4

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
EP-4658659-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF Children's Hospital Medical Center (US) 2025-12-10 — — EP disclosed
WO-2024163764-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2024-08-08 — — WO disclosed
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