SCHEMBL18296173

SCHEMBL18296173

C=C(N)c1ccc(C(=O)N[C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4cnn(C)c4)n3)[C@@H]2C)cc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 20/20 0.60
▸ BTK Q06187 5/20 0.60
▸ LCK P06239 13/20 0.56
▸ EGFR P00533 6/20 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
SCHEMBL18284081 0.94 JAK3 (0.62) JAK3BTKLCKEGFR
SCHEMBL18283407 0.93 JAK3 (0.61) JAK3BTKLCKEGFR
SCHEMBL18283862 0.92 JAK3 (0.70) JAK3BTKLCKEGFR
SCHEMBL18283609 0.92 JAK3 (0.59) JAK3BTKLCKEGFR
SCHEMBL18296470 0.91 JAK3 (0.60) JAK3BTKLCKEGFR
SCHEMBL18283613 0.91 JAK3 (0.59) JAK3BTKLCKEGFR
SCHEMBL18283726 0.91 JAK3 (0.59) JAK3BTKLCKEGFR
SCHEMBL18283561 0.91 JAK3 (0.59) JAK3BTKLCKEGFR
SCHEMBL18284152 0.91 JAK3 (0.59) JAK3BTKLCKEGFR
SCHEMBL18296255 0.91 JAK3 (0.59) 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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