SCHEMBL6166860

SCHEMBL6166860

CC(Cc1nn(C)c2c1C(=O)CCC2)CC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
CSNK2A1 P68400 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
PLK1 P53350 1/20 0.33
PLK3 Q9H4B4 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30

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
SCHEMBL6167101 0.84 HTT (0.56) HTT
SCHEMBL6167293 0.83 HTT (0.42) HTTCSNK2A1LMNATSHRPLK1
SCHEMBL6163485 0.80 ALDH1A1 (0.38) HTTCSNK2A1LMNATSHRALDH1A1
SCHEMBL6168175 0.80 CSNK2A2 (0.33) CSNK2A1CSNK2A2CSNK2BABCG2
SCHEMBL6166030 0.80 ALPL (0.40) HTTLMNAALDH1A1
SCHEMBL6167189 0.79 DHODH (0.31)
SCHEMBL6766716 0.78 HTT (0.37) HTTCSNK2A1LMNATSHRALDH1A1
SCHEMBL6778055 0.77 SRC (0.43) HTTCSNK2A1LMNATSHRALDH1A1
SCHEMBL6164396 0.77 ALDH1A1 (0.41) HTTCSNK2A1LMNATSHRALDH1A1
SCHEMBL6163994 0.76 HTT (0.39) HTTLMNATSHRALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177185-B1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-04-20 EP disclosed
US-6716856-B1 CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA & TUBJOHN SPA (IT) 2004-04-06 US disclosed