SCHEMBL18296380

SCHEMBL18296380

CC1[C@@H](NC(=O)c2ccc(C3CC3)cn2)CCCN1c1cnc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 18/20 0.62
▸ BTK Q06187 6/20 0.62
▸ LCK P06239 15/20 0.60
▸ EGFR P00533 7/20 0.60

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
SCHEMBL18283560 1.00 JAK3 (0.62) JAK3BTKLCKEGFR
SCHEMBL20540694 0.92 JAK3 (0.55) JAK3BTKLCKEGFR
SCHEMBL18283962 0.92 JAK3 (0.71) JAK3BTKLCKEGFR
SCHEMBL18283936 0.90 JAK3 (0.59) JAK3BTKLCKEGFR
SCHEMBL18283433 0.89 JAK3 (0.60) JAK3BTKLCKEGFR
SCHEMBL18283806 0.88 JAK3 (0.59) JAK3BTKLCKEGFR
SCHEMBL18283762 0.87 JAK3 (0.61) JAK3BTKLCKEGFR
SCHEMBL18296148 0.86 JAK3 (0.60) JAK3BTKLCKEGFR
SCHEMBL23081168 0.86 JAK3 (0.73) JAK3BTKLCKEGFR
SCHEMBL18283578 0.86 JAK3 (0.73) 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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