SCHEMBL18296094

SCHEMBL18296094

NC(=O)c1ncc(N2CCC[C@@H](NC(=O)c3ccc(N4CCCC4)cc3)C2)nc1N

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 13/20 0.67
▸ LCK P06239 9/20 0.63
▸ BTK Q06187 11/20 0.57
▸ EGFR P00533 2/20 0.55

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
SCHEMBL16763593 0.81 JAK3 (1.00) JAK3LCKBTKEGFR
SCHEMBL16763592 0.81 JAK3 (1.00) JAK3LCKBTKEGFR
SCHEMBL20539866 0.80 JAK3 (0.84) JAK3LCKBTKEGFR
SCHEMBL18283511 0.80 JAK3 (0.84) JAK3LCKBTKEGFR
SCHEMBL18296208 0.80 LCK (0.52) JAK3LCKBTKEGFR
SCHEMBL18283401 0.80 JAK3 (0.82) JAK3LCKBTKEGFR
SCHEMBL20539748 0.80 JAK3 (0.82) JAK3LCKBTKEGFR
SCHEMBL23080981 0.78 JAK3 (0.84) JAK3LCKBTKEGFR
SCHEMBL16763896 0.78 JAK3 (1.00) JAK3LCKBTKEGFR
SCHEMBL16764241 0.78 JAK3 (1.00) JAK3LCKBTKEGFR

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
Send feedback