SCHEMBL18884692

SCHEMBL18884692

NC(=O)c1ncc(N2CCCCC2)nc1Nc1cnn(C2CCN(C(=O)C3CC3)CC2)c1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 17/20 0.73
▸ JAK3 P52333 16/20 0.73
▸ BTK Q06187 15/20 0.73
▸ EGFR P00533 11/20 0.73

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 0.92 BTK (0.70) LCKJAK3BTKEGFR
SCHEMBL20867957 0.91 JAK3 (0.71) LCKJAK3BTKEGFR
SCHEMBL18296401 0.89 LCK (0.65) LCKJAK3BTKEGFR
SCHEMBL19824684 0.88 LCK (0.66) LCKJAK3BTKEGFR
SCHEMBL18296166 0.87 JAK3 (0.63) LCKJAK3BTKEGFR
SCHEMBL21946812 0.86 JAK3 (0.76) LCKJAK3BTKEGFR
SCHEMBL16763960 0.85 BTK (1.00) LCKJAK3BTKEGFR
SCHEMBL16764135 0.85 BTK (1.00) LCKJAK3BTKEGFR
SCHEMBL23484954 0.85 BTK (0.60) LCKJAK3BTKEGFR
SCHEMBL18884600 0.84 LCK (0.74) LCKJAK3BTKEGFR

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
US-9656988-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-05-23 — — US disclosed
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