SCHEMBL18296166

SCHEMBL18296166

NC(=O)c1ncc(N2CCCCC2)nc1Nc1cnn(C2CCOCC2)c1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 16/20 0.63
▸ BTK Q06187 11/20 0.63
▸ LCK P06239 8/20 0.63
▸ EGFR P00533 4/20 0.57
▸ JAK1 P23458 8/20 0.50
▸ JAK2 O60674 6/20 0.49
▸ TYK2 P29597 2/20 0.49

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
SCHEMBL18884514 0.93 BTK (0.70) JAK3BTKLCKEGFR
SCHEMBL20867957 0.92 JAK3 (0.71) JAK3BTKLCKEGFR
SCHEMBL18296401 0.89 LCK (0.65) JAK3BTKLCKEGFR
SCHEMBL19824684 0.88 LCK (0.66) JAK3BTKLCKEGFR
SCHEMBL18884692 0.87 LCK (0.73) JAK3BTKLCKEGFR
SCHEMBL23484954 0.87 BTK (0.60) JAK3BTKLCKEGFR
SCHEMBL18884600 0.86 LCK (0.74) JAK3BTKLCKEGFR
SCHEMBL21946812 0.83 JAK3 (0.76) JAK3BTKLCKEGFRJAK2
SCHEMBL18884583 0.81 JAK3 (0.66) JAK3BTKLCKEGFR
SCHEMBL18296116 0.81 BTK (0.54) 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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