SCHEMBL6166432

SCHEMBL6166432

CC1(C)Cc2c(c(-c3cnc4ccccc4n3)nn2-c2nc3ccccc3s2)C(=O)C1C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 4/20 0.34
ALDH1A1 P00352 4/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 4/20 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
CRBN Q96SW2 2/20 0.32
DDB1 Q16531 1/20 0.32
KDM4E B2RXH2 2/20 0.32

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) TP53HSD17B10MAPK1MEN1KMT2A
SCHEMBL6167422 0.87 NPSR1 (0.36) TP53HSD17B10MAPK1MEN1KMT2A
SCHEMBL6164597 0.86 NPC1 (0.36) TP53HSD17B10MAPK1MEN1KMT2A
SCHEMBL6166932 0.84 RAB9A (0.36) TP53HSD17B10MAPK1MEN1KMT2A
SCHEMBL6164872 0.84 ALDH1A1 (0.35) TP53HSD17B10MAPK1MEN1KMT2A
SCHEMBL6162645 0.84 LMNA (0.41) TP53HSD17B10MAPK1MEN1KMT2A
SCHEMBL6166806 0.84 APP (0.39) TP53HSD17B10MAPK1MEN1KMT2A
SCHEMBL6167088 0.84 TP53 (0.34) TP53HSD17B10MAPK1MEN1KMT2A
SCHEMBL6165463 0.84 RAB9A (0.41) TP53HSD17B10MAPK1MEN1KMT2A
SCHEMBL6183323 0.82 ALDH1A1 (0.37) TP53HSD17B10MAPK1MEN1KMT2A

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