SCHEMBL14494630

SCHEMBL14494630

CCc1cc(-c2ccc(=O)n(Cc3cccc(NC(C)=O)c3)n2)ccc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 4/20 0.58
▸ PDE4A P27815 2/20 0.57
▸ PDE4B Q07343 2/20 0.57
▸ PDE4C Q08493 2/20 0.57
▸ PDE4D Q08499 2/20 0.57
▸ USP2 O75604 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ ATM Q13315 1/20 0.54
▸ CHEK1 O14757 1/20 0.51
▸ NEK2 P51955 1/20 0.51
▸ LIMK1 P53667 1/20 0.51
▸ TYRO3 Q06418 1/20 0.51
▸ CLK4 Q9HAZ1 1/20 0.51
▸ FYN P06241 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL4124593 0.92 PDE4A (0.69) METPDE4APDE4BPDE4CPDE4D
SCHEMBL15815401 0.86 CHEK1 (0.70) METPDE4APDE4BPDE4CPDE4D
SCHEMBL2493573 0.82 MET (0.61) METUSP2PKMALOX15ATM
SCHEMBL4125734 0.81 MET (0.68) MET
SCHEMBL2466162 0.81 MET (0.60) METUSP2PKMALOX15ATM
SCHEMBL2468122 0.79 MET (0.81) MET
SCHEMBL15941281 0.79 PDE4A (0.58) METPDE4APDE4BPDE4CPDE4D
SCHEMBL2465886 0.77 MET (0.55) METMAPTSMN1; SMN2
SCHEMBL3117528 0.75 MET (0.59) METUSP2PKMALOX15ATM
SCHEMBL2470219 0.75 MET (0.62) METMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007065518-A1 PYRIDIAZINONE DERIVATIVES FOR TUMOUR TREATMENT MERCK PATENT GMBH (DE) 2007-06-14 — — WO disclosed
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