SCHEMBL6166641

SCHEMBL6166641

CCCc1nn(C)c2c1C(=O)CC(C)C2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.40
ABCG2 Q9UNQ0 4/20 0.36
CSNK2A2 P19784 3/20 0.36
CSNK2B P67870 3/20 0.36
CSNK2A1 P68400 3/20 0.36
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BUB1 O43683 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.30
PDE5A O76074 1/20 0.30

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
SCHEMBL6163497 0.82 HTT (0.40) ALPLABCG2CSNK2A2CSNK2BCSNK2A1
SCHEMBL6164374 0.81 ALPL (0.38) ALPLALDH1A1KMT2ANPSR1LMNA
SCHEMBL6166965 0.81 ABCG2 (0.36) ABCG2CSNK2A2CSNK2BCSNK2A1BUB1
SCHEMBL6164477 0.77 ABCG2 (0.43) ALPLABCG2CSNK2A2CSNK2BCSNK2A1
SCHEMBL6166292 0.76 HTT (0.36) ABCG2CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL6165467 0.75 ALDH1A1 (0.45) ALPLABCG2CSNK2A2CSNK2BCSNK2A1
SCHEMBL6168175 0.74 CSNK2A2 (0.33) ABCG2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6165013 0.73 CCNA2 (0.46) ABCG2CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL6767198 0.73 L3MBTL1 (0.44) ALPLABCG2CSNK2A2CSNK2BCSNK2A1
SCHEMBL6162505 0.73 ALPL (0.67) ALPLALDH1A1KMT2ANPSR1BUB1

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