Sugi Predict

Sugi Predict / Compounds / SCHEMBL25338902

SCHEMBL25338902

SCHEMBL25338902

CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](Nc2nc(-c3cnc4ccc(C(C)(O)C(F)(F)F)cn34)ccc2F)C1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK4 Q9P2K8 16/20 0.43
▸ TRPV3 Q8NET8 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ SYK P43405 1/20 0.35
▸ NTRK1 P04629 1/20 0.34

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
SCHEMBL25335157 0.91 EIF2AK4 (0.42) EIF2AK4FLT3
SCHEMBL25998064 0.89 EIF2AK4 (0.44) EIF2AK4TRPV3FLT3
SCHEMBL30716642 0.87 EIF2AK4 (0.38) EIF2AK4TRPV3FLT3SYKNTRK1
SCHEMBL30716643 0.87 EIF2AK4 (0.38) EIF2AK4TRPV3FLT3SYKNTRK1
SCHEMBL31000140 0.85 CDK4 (0.44) EIF2AK4
SCHEMBL25339825 0.82 FLT3 (0.42) EIF2AK4FLT3
SCHEMBL25992534 0.82 FLT3 (0.42) EIF2AK4FLT3
SCHEMBL25988961 0.82 FLT3 (0.42) EIF2AK4FLT3
SCHEMBL25988962 0.82 FLT3 (0.42) EIF2AK4FLT3
SCHEMBL24231561 0.81 EIF2AK4 (0.41) EIF2AK4FLT3SYK

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
WO-2023150601-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-08-10 — — WO disclosed
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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