SCHEMBL30611523

SCHEMBL30611523

CC(C)C1CN(c2ncc(Cl)c(Nc3ccc4[nH]ncc4c3)n2)CCCN1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 18/20 0.73
▸ ROCK1 Q13464 12/20 0.73
▸ CHEK1 O14757 1/20 0.51
▸ AURKA O14965 1/20 0.51
▸ DAPK3 O43293 1/20 0.51
▸ JAK2 O60674 1/20 0.51
▸ PRKD3 O94806 1/20 0.51
▸ MAP4K4 O95819 1/20 0.51
▸ PAK4 O96013 1/20 0.51
▸ ABL1 P00519 1/20 0.51
▸ NTRK1 P04629 1/20 0.51
▸ LCK P06239 1/20 0.51
▸ FYN P06241 1/20 0.51
▸ CSF1R P07333 1/20 0.51
▸ RET P07949 1/20 0.51
▸ IGF1R P08069 1/20 0.51
▸ MET P08581 1/20 0.51
▸ PDGFRB P09619 1/20 0.51
▸ PIM1 P11309 1/20 0.51
▸ FGFR1 P11362 1/20 0.51

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
SCHEMBL20774762 1.00 ROCK2 (0.73) ROCK2ROCK1CHEK1AURKADAPK3
SCHEMBL30611387 0.95 ROCK2 (0.72) ROCK2ROCK1CHEK1AURKADAPK3
SCHEMBL20774604 0.95 ROCK2 (0.72) ROCK2ROCK1CHEK1AURKADAPK3
SCHEMBL20774733 0.90 ROCK2 (0.80) ROCK2ROCK1
SCHEMBL20775988 0.90 ROCK2 (0.81) ROCK2ROCK1
SCHEMBL30611385 0.90 ROCK2 (0.81) ROCK2ROCK1
SCHEMBL30611514 0.89 ROCK2 (0.81) ROCK2ROCK1
SCHEMBL20774719 0.89 ROCK2 (0.81) ROCK2ROCK1
SCHEMBL20784031 0.88 ROCK2 (0.71) ROCK2ROCK1
SCHEMBL30611373 0.88 ROCK2 (0.71) ROCK2ROCK1

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-111587112-B Rho-related inhibitors of coiled-coil-containing protein kinases 卡德门企业有限公司 2023-10-10 — — CN disclosed
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