SCHEMBL18296252

SCHEMBL18296252

C[C@@H]1[C@H](NC(=O)c2ccc(C3CC3)cc2F)CCCN1c1cnc(C(N)=O)c(N)n1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 20/20 0.51
▸ BTK Q06187 7/20 0.51
▸ LCK P06239 14/20 0.49
▸ EGFR P00533 7/20 0.49

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
SCHEMBL18296200 0.86 JAK3 (0.63) JAK3BTKLCKEGFR
SCHEMBL18283974 0.86 JAK3 (0.58) JAK3BTKLCKEGFR
SCHEMBL18283790 0.85 JAK3 (0.54) JAK3BTKLCKEGFR
SCHEMBL18283667 0.84 JAK3 (0.69) JAK3BTKLCKEGFR
SCHEMBL20540644 0.84 JAK3 (0.54) JAK3BTKLCKEGFR
SCHEMBL18283728 0.84 JAK3 (0.69) JAK3BTKLCKEGFR
SCHEMBL18283806 0.83 JAK3 (0.59) JAK3BTKLCKEGFR
SCHEMBL18283413 0.83 JAK3 (0.59) JAK3BTKLCKEGFR
SCHEMBL18283876 0.83 JAK3 (0.55) JAK3BTKLCKEGFR
SCHEMBL18283922 0.82 JAK3 (0.56) JAK3BTKLCKEGFR

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
WO-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 — — WO disclosed
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