SCHEMBL10662900

SCHEMBL10662900

CCOC(=O)CCc1nc2cc3c(cc2[nH]1)NC(=O)C3(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.55
▸ AURKA O14965 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 4/20 0.42
▸ PDE3B Q13370 3/20 0.42
▸ PDE3A Q14432 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ P2RY12 Q9H244 2/20 0.41
▸ PRKAG1 P54619 2/20 0.39
▸ PRKAA2 P54646 2/20 0.39
▸ PRKAB1 Q9Y478 2/20 0.39
▸ PRKAA1 Q13131 1/20 0.39
▸ APEX1 P27695 1/20 0.36
▸ CACNA1G O43497 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
SCHEMBL10662905 0.85 PRKAG1 (0.55) MAPTAURKAAURKBALDH1A1KDM4E
SCHEMBL9835632 0.82 KMT2A (0.50) MAPTAURKAAURKBALDH1A1KDM4E
SCHEMBL9834905 0.80 PDE4A (0.47) MAPTAURKAAURKBALDH1A1KDM4E
SCHEMBL9835346 0.80 PDE3B (0.51) MAPTAURKAAURKBKDM4EPDE3B
SCHEMBL9835224 0.78 PDE4A (0.46) MAPTAURKAAURKBKDM4EPDE3B
SCHEMBL9834509 0.78 KMT2A (0.42) MAPTAURKAAURKBALDH1A1KDM4E
SCHEMBL10668127 0.77 PDE3B (0.48) MAPTAURKAAURKBALDH1A1PDE3B
SCHEMBL9834481 0.76 PDE3B (0.46) MAPTAURKAAURKBALDH1A1KDM4E
SCHEMBL14925453 0.74 MAPT (0.72) MAPTALDH1A1KDM4EPDE3BPDE3A
SCHEMBL10553724 0.73 MAPT (0.57) MAPTALDH1A1KDM4EPDE3BPDE3A

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-4730003-A Tricyclic compounds for treating heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1988-03-08 — — US disclosed
EP-0214592-A2 Pyrrolobenzimidazoles, process for their preparation and medicaments containing these products Roche Diagnostics GmbH (DE) 1987-03-18 — — EP disclosed
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