SCHEMBL18296304

SCHEMBL18296304

C=C(N)c1ncc(N2CCC[C@@H](NC(=O)c3ccc(C4CC4)cc3)[C@H]2C)nc1Nc1cnn(CC2CCOCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 20/20 0.56
▸ BTK Q06187 6/20 0.56
▸ LCK P06239 14/20 0.49
▸ EGFR P00533 7/20 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
SCHEMBL18283642 0.95 JAK3 (0.63) JAK3BTKLCKEGFR
SCHEMBL23081115 0.90 JAK3 (0.51) JAK3BTKLCKEGFR
SCHEMBL18283419 0.86 JAK3 (0.61) JAK3BTKLCKEGFR
SCHEMBL18284023 0.84 JAK3 (0.66) JAK3BTKLCKEGFR
SCHEMBL18283546 0.84 JAK3 (0.74) JAK3BTKLCKEGFR
SCHEMBL18284412 0.83 JAK3 (0.65) JAK3BTKLCKEGFR
SCHEMBL18284124 0.83 JAK3 (0.65) JAK3BTKLCKEGFR
SCHEMBL18284109 0.82 JAK3 (0.63) JAK3BTKLCKEGFR
SCHEMBL18283520 0.82 JAK3 (0.63) JAK3BTKLCKEGFR
SCHEMBL18283798 0.82 JAK3 (0.63) 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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