SCHEMBL3641889

SCHEMBL3641889

CC1(C)OB(c2cnc(-c3cccc(Cc4ccn[nH]c4=O)c3)nc2)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 3/20 0.39
▸ DGAT1 O75907 1/20 0.35
▸ CYP4F2 P78329 3/20 0.35
▸ CYP4A11 Q02928 3/20 0.35
▸ PRMT5 O14744 2/20 0.34
▸ WDR77 Q9BQA1 2/20 0.34
▸ LPL P06858 2/20 0.34
▸ HRH3 Q9Y5N1 4/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ MET P08581 2/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ HRH4 Q9H3N8 1/20 0.31
▸ HPGDS O60760 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
SCHEMBL3641886 0.73 MET (0.44) LIPGDGAT1MET
SCHEMBL2147192 0.68 LIPG (0.61) LIPGDGAT1LPLPDGFRBKDR
SCHEMBL13285276 0.68 MET (0.54) MET
SCHEMBL2352155 0.67 MET (0.55) MET
SCHEMBL1296500 0.66 MET (0.63) MET
SCHEMBL12106977 0.66 MET (0.51) MET
SCHEMBL16899788 0.66 LIPG (0.38) LIPGDGAT1LPLPDGFRBKDR
SCHEMBL16899787 0.66 KMT2A (0.41) LIPGDGAT1LPL
SCHEMBL1950009 0.66 CDK8 (0.46) DGAT1CYP4F2CYP4A11PDGFRBKDR
SCHEMBL15113557 0.66 MET (0.40) LIPGGSK3BMET

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-2164844-A1 PYRIMIDINYL PYRIDAZINONE DERIVATES Merck Patent GmbH (DE) 2010-03-24 — — EP disclosed
WO-2009007074-A1 PYRIMIDINYL PYRIDAZINONE DERIVATES MERCK PATENT GMBH (DE) 2009-01-15 — — WO disclosed
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