SCHEMBL6166932

SCHEMBL6166932

CC1(C)Cc2c(c(-c3ccccc3F)nn2-c2nc3ccccc3s2)C(=O)C1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.36
KMT2A Q03164 3/20 0.36
MAPK1 P28482 2/20 0.34
MEN1 O00255 2/20 0.34
NPSR1 Q6W5P4 4/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
ALDH1A1 P00352 4/20 0.33
NPC1 O15118 3/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
NPY5R Q15761 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL6163911 0.88 MAPT (0.42) RAB9AKMT2AMAPK1MEN1NPSR1
SCHEMBL6164786 0.87 RAB9A (0.36) RAB9AKMT2AMAPK1MEN1NPSR1
SCHEMBL6164597 0.86 NPC1 (0.36) RAB9AKMT2AMAPK1MEN1NPSR1
SCHEMBL6167088 0.85 TP53 (0.34) RAB9AKMT2AMAPK1MEN1NPSR1
SCHEMBL6162645 0.84 LMNA (0.41) RAB9AKMT2AMAPK1MEN1NPSR1
SCHEMBL6164872 0.84 ALDH1A1 (0.35) RAB9AKMT2AMAPK1MEN1NPSR1
SCHEMBL6166432 0.84 TP53 (0.35) RAB9AKMT2AMAPK1MEN1NPSR1
SCHEMBL6166806 0.84 APP (0.39) RAB9AKMT2AMAPK1MEN1NPSR1
SCHEMBL6165463 0.84 RAB9A (0.41) RAB9AKMT2AMAPK1MEN1NPSR1
SCHEMBL6183323 0.82 ALDH1A1 (0.37) RAB9AKMT2AMAPK1MEN1NPSR1

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