SCHEMBL7667601

SCHEMBL7667601

CN1CCN(c2cncc(-c3cc(Cc4ccccc4)cc(C(=O)CC(=O)C(=O)O)c3)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 11/20 0.56
PIM1 P11309 1/20 0.49
CSNK2A2 P19784 1/20 0.49
CSNK2A1 P68400 1/20 0.49
DYRK1A Q13627 3/20 0.42
CHEK1 O14757 2/20 0.41
HRH1 P35367 2/20 0.40
HRH4 Q9H3N8 2/20 0.40
RAD52 P43351 1/20 0.40
HRH2 P25021 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KLKB1 P03952 1/20 0.38
KLK1 P06870 1/20 0.38

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
SCHEMBL7078799 0.86 PIM2 (0.51) PIM2PIM1CSNK2A2CSNK2A1DYRK1A
SCHEMBL7667672 0.79 PIM2 (0.41) PIM2PIM1
SCHEMBL6946070 0.78 PLOD2 (0.46) HRH1HRH4HRH2HRH3
SCHEMBL7079196 0.76 PIM2 (0.45) PIM2DYRK1AKLKB1KLK1
SCHEMBL6950602 0.75 ERCC5 (0.47) PIM2PIM1
SCHEMBL2213805 0.72 PIM2 (1.00) PIM2PIM1CSNK2A2CSNK2A1DYRK1A
SCHEMBL6945686 0.71 ERCC5 (0.46)
SCHEMBL6947604 0.70 ERCC5 (0.61)
SCHEMBL2211724 0.69 PIM2 (1.00) PIM2PIM1CSNK2A2CSNK2A1
SCHEMBL3364837 0.69 PIM2 (0.72) PIM2PIM1CSNK2A2CSNK2A1DYRK1A

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
US-6380249-B1 HIV integrase inhibitors MERCK & CO., INC. 2002-04-30 US claimed
US-6380249-B1 HIV integrase inhibitors MERCK & CO., INC. 2002-04-30 US disclosed