SCHEMBL6164455

SCHEMBL6164455

CC1CC(=O)c2c(C(C)C)nn(-c3ccccc3)c2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.47
CSNK2A2 P19784 3/20 0.47
CSNK2B P67870 3/20 0.47
CSNK2A1 P68400 3/20 0.47
CSNK2A3 Q8NEV1 1/20 0.47
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
BUB1 O43683 1/20 0.38
PDE4B Q07343 5/20 0.37
PDE5A O76074 2/20 0.37
PDE3A Q14432 2/20 0.37
GAA P10253 1/20 0.36
HIF1A Q16665 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCNA2 P20248 1/20 0.35

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
SCHEMBL6769518 0.88 L3MBTL1 (0.49) ABCG2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6770603 0.87 CSNK2A2 (0.40) ABCG2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6770441 0.87 SRC (0.41) ABCG2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6164547 0.86 DHODH (0.43) ALDH1A1HPGDTSHRBUB1PDE4B
SCHEMBL6775862 0.85 ABCG2 (0.39) ABCG2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6163369 0.83 CCNA2 (0.47) ABCG2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6167870 0.82 ALDH1A1 (0.49) ABCG2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6167949 0.81 ABCG2 (0.44) ABCG2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6168193 0.80 ABCG2 (0.42) ABCG2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6164677 0.79 ABCG2 (0.41) ABCG2CSNK2A2CSNK2BCSNK2A1CSNK2A3

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 2 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