SCHEMBL5207062

SCHEMBL5207062

CC(C)Cn1c(NCCN(C)C)nc(OCc2ccc(F)cc2F)cc1=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.38
NMT2 O60551 1/20 0.37
NMT1 P30419 1/20 0.37
PCSK9 Q8NBP7 1/20 0.37
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
CDC25C P30307 1/20 0.35
HSD17B10 Q99714 1/20 0.34
KAT2B Q92831 1/20 0.34

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
SCHEMBL5207713 0.83 MAPK14 (0.44) MAPK14
SCHEMBL5204460 0.81 NMT2 (0.40) MAPK14NMT2NMT1PCSK9CDC25A
SCHEMBL5207326 0.78 MAOB (0.38) MAPK14
SCHEMBL5207452 0.77 MEN1 (0.39) MAPK14
SCHEMBL5205590 0.69 MAOB (0.39) MAPK14
SCHEMBL5202380 0.69 MAOB (0.42) MAPK14
SCHEMBL5236197 0.69 MAPK14 (0.41) MAPK14NMT2NMT1
SCHEMBL5240413 0.69 NMT2 (0.42) MAPK14NMT2NMT1
SCHEMBL5203740 0.68 CYP1A1 (0.42) MAPK14
SCHEMBL3523048 0.67 MAPK14 (0.39) MAPK14

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-1802590-A1 SUBSTITUTED N-ALKYLPYRIMIDINONES Pharmacia & Upjohn Company LLC (US) 2007-07-04 EP disclosed
WO-2006040666-A1 SUBSTITUTED N-ALKYLPYRIMIDINONES PHARMACIA & UPJOHN COMPANY LLC (US) 2006-04-20 WO disclosed