SCHEMBL31000157

SCHEMBL31000157

CC(C)(O)c1cn2c(-c3nc(Br)ncc3F)cnc2cn1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK4 Q9P2K8 1/20 0.34
▸ GABRA1 P14867 7/20 0.32
▸ GABRG2 P18507 7/20 0.32
▸ GABRB3 P28472 7/20 0.32
▸ GABRA5 P31644 7/20 0.32
▸ GABRA3 P34903 7/20 0.32
▸ GABRA2 P47869 2/20 0.30

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
SCHEMBL31000239 0.90 EIF2AK4 (0.34) EIF2AK4
SCHEMBL31341123 0.84 GABRA1 (0.37) EIF2AK4GABRA1GABRG2GABRB3GABRA5
SCHEMBL31000273 0.82 EIF2AK4 (0.43) EIF2AK4
SCHEMBL30716641 0.78 GABRA1 (0.39) EIF2AK4GABRA1GABRG2GABRB3GABRA5
SCHEMBL31000126 0.78 MKNK1 (0.34) EIF2AK4
SCHEMBL31000269 0.77 EIF2AK4 (0.43) EIF2AK4
SCHEMBL31000223 0.74 FLT3 (0.37) EIF2AK4
SCHEMBL24574150 0.72 GABRA1 (0.48) EIF2AK4GABRA1GABRG2GABRB3GABRA3
SCHEMBL31068067 0.72 GABRA1 (0.48) EIF2AK4GABRA1GABRG2GABRB3GABRA3
SCHEMBL31000145 0.71 NRAS (0.34) 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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