SCHEMBL6166169

SCHEMBL6166169

CN(C)c1ccc(-c2nn(CC(F)(F)F)c3c2C(=O)CCC3(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.34
POLQ O75417 2/20 0.32
GAA P10253 1/20 0.32
PTGS2 P35354 2/20 0.30
PTGS1 P23219 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
SCHEMBL6167609 0.86 CDC7 (0.37)
SCHEMBL6167206 0.83 METAP2 (0.34) METAP2POLQGAAPTGS2PTGS1
SCHEMBL6167324 0.78 BRD4 (0.38) GAA
SCHEMBL6164080 0.77
SCHEMBL6165166 0.77 USP19 (0.33) METAP2POLQGAAPTGS2
SCHEMBL6163427 0.77 POLL (0.34) POLQGAA
SCHEMBL6164754 0.77 EEF2K (0.34) POLQ
SCHEMBL6165739 0.73 AURKA (0.31)
SCHEMBL6166604 0.73 CCNA2 (0.39) GAA
SCHEMBL6167238 0.72 HDAC9 (0.31)

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 4 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
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