SCHEMBL18296200

SCHEMBL18296200

C[C@@H]1[C@H](NC(=O)c2ccc(C3CC3)cc2)CCCN1c1cnc(C(N)=O)c(N)n1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 20/20 0.63
▸ BTK Q06187 6/20 0.63
▸ LCK P06239 15/20 0.54
▸ EGFR P00533 9/20 0.54

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
SCHEMBL18283706 0.90 JAK3 (0.62) JAK3BTKLCKEGFR
SCHEMBL18296252 0.86 JAK3 (0.51) JAK3BTKLCKEGFR
SCHEMBL18296398 0.85 JAK3 (0.50) JAK3BTKLCKEGFR
SCHEMBL18296232 0.85 JAK3 (0.76) JAK3BTKLCKEGFR
SCHEMBL18296389 0.85 JAK3 (0.51) JAK3BTKLCKEGFR
SCHEMBL18284003 0.84 JAK3 (0.77) JAK3BTKLCKEGFR
SCHEMBL18296228 0.84 JAK3 (0.55) JAK3BTKLCKEGFR
SCHEMBL18283862 0.84 JAK3 (0.70) JAK3BTKLCKEGFR
SCHEMBL18283546 0.84 JAK3 (0.74) JAK3BTKLCKEGFR
SCHEMBL18283616 0.83 JAK3 (0.65) 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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