SCHEMBL6166806

SCHEMBL6166806

CN(C)c1ccc(-c2nn(-c3nc4ccccc4s3)c3c2C(=O)C(C#N)C(C)(C)C3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.39
RAB9A P51151 6/20 0.35
MAPT P10636 6/20 0.35
NPC1 O15118 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 4/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MAPK1 P28482 2/20 0.35
TP53 P04637 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
INSR P06213 2/20 0.33
MCL1 Q07820 1/20 0.33
KDM4E B2RXH2 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 0.91 MAPT (0.42) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL6164597 0.89 NPC1 (0.36) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL6164039 0.87 APP (0.40) APPRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL6166932 0.84 RAB9A (0.36) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL6162645 0.84 LMNA (0.41) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL6166432 0.84 TP53 (0.35) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL6164872 0.84 ALDH1A1 (0.35) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL6167088 0.83 TP53 (0.34) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL6165463 0.83 RAB9A (0.41) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL6166598 0.83 PDE10A (0.47) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1

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