SCHEMBL19490557

SCHEMBL19490557

CC(O)N1CCC[C@@H](n2nc(-c3ccc(Oc4cccc(COc5ccccc5C(F)(F)F)c4)cc3)c3c(N)ncnc32)C1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.57
▸ KIT P10721 1/20 0.52
▸ FLT3 P36888 1/20 0.52
▸ LCK P06239 2/20 0.51
▸ LYN P07948 1/20 0.51
▸ EGFR P00533 1/20 0.51
▸ ITK Q08881 1/20 0.51

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
SCHEMBL15613524 0.89 BTK (0.66) BTKKITFLT3LCKLYN
SCHEMBL15613517 0.89 BTK (0.64) BTKKITFLT3LCKLYN
SCHEMBL15613473 0.85 BTK (0.56) BTKLCKLYNEGFRITK
SCHEMBL15613516 0.80 NUDT14 (0.62) BTKEGFR
SCHEMBL16886149 0.79 BTK (0.69) BTKKITFLT3LCKLYN
SCHEMBL16886150 0.79 BTK (0.67) BTKKITFLT3LCKLYN
SCHEMBL24827796 0.78 BTK (0.74) BTKFLT3LCKLYNEGFR
SCHEMBL23409076 0.78 BTK (0.74) BTKFLT3LCKLYNEGFR
SCHEMBL15613695 0.78 BTK (0.79) BTKFLT3LCKLYNEGFR
SCHEMBL15613691 0.77 BTK (0.66) BTKKITFLT3LCKLYN

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
US-9796716-B2 Selective inhibitors of Tec and Src protein kinase families PHARMASCIENCE, INC. (CA) 2017-10-24 — — US disclosed
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