SCHEMBL6166598

SCHEMBL6166598

COc1cccc(-c2nn(-c3nc4ccccc4s3)c3c2C(=O)C(C#N)C(C)(C)C3)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.47
MAPT P10636 7/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
RAB9A P51151 4/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 5/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 4/20 0.37
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 3/20 0.37
MAPK1 P28482 2/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
TP53 P04637 1/20 0.37

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 0.89 MAPT (0.42) MAPTSMN1; SMN2RAB9ANFKB1NFKB2
SCHEMBL6164537 0.88 PDE10A (0.48) PDE10AMAPTSMN1; SMN2RAB9ANFKB1
SCHEMBL6165463 0.88 RAB9A (0.41) PDE10AMAPTSMN1; SMN2RAB9ANFKB1
SCHEMBL6164597 0.85 NPC1 (0.36) MAPTSMN1; SMN2RAB9ANFKB1NFKB2
SCHEMBL6162645 0.83 LMNA (0.41) MAPTSMN1; SMN2RAB9ANFKB1NFKB2
SCHEMBL6166806 0.83 APP (0.39) MAPTSMN1; SMN2RAB9ANFKB1NFKB2
SCHEMBL6164872 0.82 ALDH1A1 (0.35) MAPTSMN1; SMN2RAB9ANFKB1NFKB2
SCHEMBL6166432 0.82 TP53 (0.35) MAPTSMN1; SMN2RAB9ANFKB1NFKB2
SCHEMBL6166932 0.82 RAB9A (0.36) MAPTSMN1; SMN2RAB9ANFKB1NFKB2
SCHEMBL6167088 0.81 TP53 (0.34) MAPTSMN1; SMN2RAB9ANFKB1NFKB2

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