SCHEMBL18296163

SCHEMBL18296163

CCN1CCC(n2cc(Nc3nc(N4CCC[C@@H](NC(=O)c5ccc(C6CC6)cc5)[C@H]4C)cnc3C(N)=O)cn2)CC1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 17/20 0.64
▸ BTK Q06187 12/20 0.64
▸ LCK P06239 15/20 0.56
▸ EGFR P00533 6/20 0.56

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
SCHEMBL18296096 0.94 JAK3 (0.69) JAK3BTKLCKEGFR
SCHEMBL18284000 0.93 JAK3 (0.66) JAK3BTKLCKEGFR
SCHEMBL18283427 0.92 JAK3 (0.61) JAK3BTKLCKEGFR
SCHEMBL20540031 0.91 JAK3 (0.66) JAK3BTKLCKEGFR
SCHEMBL20540225 0.91 JAK3 (0.64) JAK3BTKLCKEGFR
SCHEMBL18283822 0.91 JAK3 (0.64) JAK3BTKLCKEGFR
SCHEMBL18283504 0.91 JAK3 (0.64) JAK3BTKLCKEGFR
SCHEMBL18284412 0.91 JAK3 (0.65) JAK3BTKLCKEGFR
SCHEMBL18283895 0.91 JAK3 (0.65) JAK3BTKLCKEGFR
SCHEMBL18284022 0.89 JAK3 (0.64) 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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