SCHEMBL18296274

SCHEMBL18296274

Cc1ncc(N2CCC[C@@H](NC(=O)c3ccc(C4CC4)nc3)[C@H]2C)nc1Nc1ccc(OC2CCOCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 19/20 0.46
▸ BTK Q06187 5/20 0.46
▸ LCK P06239 12/20 0.45
▸ EGFR P00533 6/20 0.41

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
SCHEMBL18283460 0.91 JAK3 (0.57) JAK3BTKLCKEGFR
SCHEMBL18283732 0.90 JAK3 (0.48) JAK3BTKLCKEGFR
SCHEMBL18283649 0.83 JAK3 (0.58) JAK3BTKLCKEGFR
SCHEMBL18296282 0.83 JAK3 (0.48) JAK3BTKLCKEGFR
SCHEMBL18283496 0.82 JAK3 (0.57) JAK3BTKLCKEGFR
SCHEMBL18296311 0.79 JAK3 (0.46) JAK3BTKLCKEGFR
SCHEMBL18296148 0.77 JAK3 (0.60) JAK3BTKLCKEGFR
SCHEMBL18283546 0.75 JAK3 (0.74) JAK3BTKLCKEGFR
SCHEMBL18283428 0.75 JAK3 (0.58) JAK3BTKLCKEGFR
SCHEMBL18284017 0.75 JAK3 (0.69) 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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