SCHEMBL18296207

SCHEMBL18296207

CC(=N)/C=C(\S)Nc1nc(N2CCC[C@@H](NC(=O)c3ccc(C)cc3F)C2)cnc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 15/20 0.50
▸ JAK3 P52333 10/20 0.47
▸ LCK P06239 9/20 0.47
▸ EGFR P00533 2/20 0.47

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
SCHEMBL18283598 0.81 BTK (0.71) BTKJAK3LCKEGFR
SCHEMBL20539806 0.81 BTK (0.71) BTKJAK3LCKEGFR
SCHEMBL18296208 0.75 LCK (0.52) BTKJAK3LCKEGFR
SCHEMBL20540867 0.75 BTK (0.71) BTKJAK3LCKEGFR
SCHEMBL18283508 0.75 BTK (0.71) BTKJAK3LCKEGFR
SCHEMBL20539808 0.74 JAK3 (0.57) BTKJAK3LCKEGFR
SCHEMBL18283965 0.74 JAK3 (0.57) BTKJAK3LCKEGFR
SCHEMBL20540873 0.73 JAK3 (0.69) BTKJAK3LCKEGFR
SCHEMBL18283938 0.73 JAK3 (0.58) BTKJAK3LCKEGFR
SCHEMBL20540486 0.73 JAK3 (0.58) BTKJAK3LCKEGFR

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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