SCHEMBL6769872

SCHEMBL6769872

CC(C)c1ccc(-n2nc(CCC3CCCC3)c3c2C(C#N)C(C)(C)CC3=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.34
CDK2 P24941 3/20 0.34
MAPT P10636 1/20 0.33
SRC P12931 1/20 0.32
MAOB P27338 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
SCHEMBL6767123 0.86 MAPT (0.32) MAPTMAOB
SCHEMBL6770449 0.81 CCNA2 (0.41) CCNA2CDK2SRC
SCHEMBL6771169 0.79 CCNA2 (0.40) CCNA2CDK2MAPT
SCHEMBL6766539 0.79 CCNA2 (0.35) CCNA2CDK2SRC
SCHEMBL6772430 0.77 CCNA2 (0.44) CCNA2CDK2MAPTSRC
SCHEMBL6770739 0.76 CCNA2 (0.45) CCNA2CDK2SRC
SCHEMBL6776854 0.74 PTGS1 (0.42) CCNA2CDK2MAPT
SCHEMBL6767158 0.74 CCNA2 (0.37) CCNA2CDK2
SCHEMBL6772549 0.74 CCNA2 (0.35) CCNA2CDK2MAPTSRC
SCHEMBL6771336 0.73 CCNA2 (0.37) CCNA2CDK2SRC

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