SCHEMBL30405276

SCHEMBL30405276

CCCCOC(=O)NCc1ccc(Cn2nc(I)c3c(N)ncnc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 6/20 0.39
▸ EGFR P00533 6/20 0.39
▸ FAAH O00519 4/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ RET P07949 1/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ JAK2 O60674 1/20 0.36

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
SCHEMBL21528214 0.84 BTK (0.42) BTKEGFRPIK3CGRETPIK3CD
SCHEMBL31186246 0.84 BTK (0.42) BTKEGFRPIK3CGRETPIK3CD
SCHEMBL23150460 0.82 BTK (0.45) BTKEGFRPIK3CGRETPIK3CD
SCHEMBL30405181 0.82 FGFR4 (0.41) BTKEGFRRETMTORHDAC1
SCHEMBL25678064 0.76 PIK3CG (0.48) BTKPIK3CGRETPIK3CDJAK2
SCHEMBL29172463 0.76 BTK (0.43) BTKEGFRPIK3CGRETPIK3CD
SCHEMBL29867706 0.75 PIK3CD (0.39) BTKEGFRPIK3CGPIK3CDJAK2
SCHEMBL20553300 0.74 RET (0.44) RETMTORHDAC1JAK2
SCHEMBL30405312 0.74 RET (0.44) RETMTORHDAC1JAK2
SCHEMBL23251838 0.73 SRC (0.38) BTKEGFRPIK3CGRETPIK3CD

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
EP-4168002-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS Revolution Medicines, Inc. (US) 2023-04-26 — — EP disclosed
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