SCHEMBL30599773

SCHEMBL30599773

CNC1CCCN(c2cnccc2-c2ccc(CNC(=O)c3coc(C(C)(C)C)n3)c(C)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 9/20 0.38
▸ DGAT2 Q96PD7 2/20 0.37
▸ ROCK2 O75116 8/20 0.36
▸ ROCK1 Q13464 8/20 0.36
▸ CDC42BPB Q9Y5S2 8/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ CDC42BPA Q5VT25 3/20 0.35

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
Hydrochloric Acid SCHEMBL29418367 0.99 BTK (0.38) BTKDGAT2ROCK2ROCK1CDC42BPB
Hydrochloric Acid SCHEMBL25269108 0.99 BTK (0.38) BTKDGAT2ROCK2ROCK1CDC42BPB
SCHEMBL29124692 0.91 BTK (0.36) BTKDGAT2ROCK1CDC42BPBSCN10A
SCHEMBL25254780 0.88 BTK (0.37) BTKDGAT2ROCK2SCN10A
Hydrochloric Acid SCHEMBL25248132 0.87 BTK (0.46) BTKDGAT2ROCK2ROCK1CDC42BPB
Hydrochloric Acid SCHEMBL29418381 0.87 BTK (0.46) BTKDGAT2ROCK2ROCK1CDC42BPB
SCHEMBL25211202 0.85 BTK (0.38) BTKDGAT2
SCHEMBL29418556 0.85 PIK3CD (0.40) BTKDGAT2ROCK2SCN10A
SCHEMBL29418388 0.85 BTK (0.38) BTKDGAT2
Hydrochloric Acid SCHEMBL25245253 0.84 BTK (0.46) BTKROCK2ROCK1CDC42BPB

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
CN-116917279-A BTK inhibitors 渤健马萨诸塞州股份有限公司 2023-10-20 — — CN disclosed
Send feedback