SCHEMBL27949504

SCHEMBL27949504

CC(C)(C)OC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4F)cc3)c3c(N)ncnc32)C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 18/20 0.70
▸ FLT3 P36888 2/20 0.64
▸ KIT P10721 1/20 0.64
▸ EGFR P00533 6/20 0.64
▸ ITK Q08881 3/20 0.63
▸ LCK P06239 2/20 0.63
▸ TEC P42680 3/20 0.62
▸ BMX P51813 3/20 0.62
▸ TXK P42681 2/20 0.62
▸ LYN P07948 2/20 0.62
▸ FGFR2 P21802 2/20 0.62
▸ RIPK2 O43353 1/20 0.62
▸ NR1I2 O75469 1/20 0.62
▸ SLC22A3 O75751 1/20 0.62
▸ LATS1 O95835 1/20 0.62
▸ NUDT14 O95848 1/20 0.62
▸ ABL1 P00519 1/20 0.62
▸ ERBB2 P04626 1/20 0.62
▸ FYN P06241 1/20 0.62
▸ PGR P06401 1/20 0.62

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
SCHEMBL15915403 1.00 BTK (0.70) BTKFLT3KITEGFRITK
SCHEMBL17626682 0.92 EGFR (0.75) BTKFLT3KITEGFRITK
SCHEMBL17626684 0.92 EGFR (0.75) BTKFLT3KITEGFRITK
SCHEMBL24196860 0.91 BTK (0.60) BTKFLT3KITEGFRITK
SCHEMBL29671300 0.91 BTK (0.81) BTKFLT3KITEGFRITK
SCHEMBL1628863 0.91 BTK (0.81) BTKFLT3KITEGFRITK
SCHEMBL12808088 0.91 BTK (0.81) BTKFLT3KITEGFRITK
SCHEMBL30324920 0.91 BTK (0.81) BTKFLT3KITEGFRITK
SCHEMBL15641034 0.91 BTK (0.81) BTKFLT3KITEGFRITK
SCHEMBL30415972 0.91 BTK (0.58) BTKFLT3KITEGFRLCK

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-103534258-A Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC 2014-01-22 — — CN disclosed
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