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Sugi Predict / Compounds / SCHEMBL27612652

SCHEMBL27612652

SCHEMBL27612652

CNC(=O)c1cc(Nc2nc(NC)ncc2F)ccc1OC.COC(=O)c1cccc(Nc2ncc(F)c(Nc3cccc(C(C)(C)C)c3)n2)c1OC

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 6/20 0.51
▸ EGFR P00533 9/20 0.47
▸ ITK Q08881 4/20 0.47
▸ PTK2 Q05397 2/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ FGFR2 P21802 1/20 0.43
▸ FGFR4 P22455 1/20 0.43
▸ FGFR3 P22607 1/20 0.43
▸ LRRK2 Q5S007 2/20 0.43
▸ ULK1 O75385 1/20 0.42

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
SCHEMBL27612655 0.86 SYK (0.49) SYKEGFRITKPTK2FGFR1
SCHEMBL657340 0.81 EGFR (0.56) SYKEGFRITKPTK2LRRK2
SCHEMBL3839582 0.80 SYK (0.63) SYKEGFRITKPTK2FGFR1
SCHEMBL28757118 0.78 AURKA (0.63) SYKEGFRITK
SCHEMBL27632174 0.77 SYK (0.58) SYKEGFRITK
SCHEMBL657714 0.75 EGFR (0.65) SYKEGFRITK
SCHEMBL656368 0.75 EGFR (0.61) SYKEGFRITK
SCHEMBL659274 0.74 SYK (0.67) SYKEGFRITK
SCHEMBL23754871 0.73 PTK2 (0.72) SYKEGFRITKPTK2FGFR1
SCHEMBL30086260 0.73 PTK2 (0.72) SYKEGFRITKPTK2FGFR1

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
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 — — CN disclosed