SCHEMBL6771401

SCHEMBL6771401

CC(C)Cc1nn(-c2ccc(C(C)C)cc2)c2c1CCC(C(C)C)C2=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
PDE4A P27815 10/20 0.35
PDE4B Q07343 10/20 0.35
PDE4C Q08493 10/20 0.35
PDE4D Q08499 10/20 0.35
PIK3CD O00329 1/20 0.33
PIK3R2 O00459 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PIK3R5 Q8WYR1 1/20 0.33
PIK3R3 Q92569 1/20 0.33
DHODH Q02127 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
MGLL Q99685 1/20 0.31
AXL P30530 1/20 0.31

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
SCHEMBL6771220 0.88 MAPT (0.33) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL6769771 0.88 MAPT (0.37) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL6776532 0.79 SRC (0.36) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL6770073 0.76 MAPT (0.34) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL6771854 0.76 MAPT (0.33) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL7545320 0.70 MAPT (0.36) MAPTPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL6770582 0.67 PDE4A (0.34) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL6770673 0.65 CACNA2D1 (0.32) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL7479730 0.64 OPRM1 (0.54)
SCHEMBL7536258 0.61 MAPT (0.39) MAPTDHODHL3MBTL1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1177185-A1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2002-02-06 EP disclosed
WO-2000069846-A1 4,5,6,7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-11-23 WO disclosed