SCHEMBL6276985

SCHEMBL6276985

Cc1ccccc1Nc1nccc(-n2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.46
ULK1 O75385 1/20 0.40
MKNK1 Q9BUB5 8/20 0.40
MKNK2 Q9HBH9 7/20 0.40
LCK P06239 3/20 0.40
AXL P30530 1/20 0.40
MERTK Q12866 1/20 0.40
TLR7 Q9NYK1 2/20 0.39
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
PDE5A O76074 1/20 0.37
PDE4A P27815 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE1C Q14123 1/20 0.37
MAPK8 P45983 1/20 0.36

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
SCHEMBL3131784 0.87 MKNK1 (0.46) MKNK1MKNK2TLR7PDE4APDE4B
SCHEMBL3130704 0.86 PDE4A (0.45) MKNK1MKNK2TLR7ADORA3ADORA2A
SCHEMBL27630786 0.84 MKNK1 (0.44) KDRULK1MKNK1MKNK2MERTK
SCHEMBL3131813 0.84 MKNK1 (0.39) MKNK1MKNK2AXLMERTKTLR7
SCHEMBL3137715 0.84 PDE4A (0.41) TLR7PDE5APDE4APDE1APDE1B
SCHEMBL3137469 0.82 PDE4A (0.50) MKNK1MKNK2PDE5APDE4APDE1A
SCHEMBL3128339 0.81 PDE4A (0.40) MKNK1MKNK2TLR7ADORA3ADORA2A
SCHEMBL3145980 0.80 PDE4A (0.40) MKNK1MKNK2TLR7ADORA3ADORA2A
SCHEMBL3141374 0.79 PDE4A (0.39) MKNK1MKNK2TLR7PDE5APDE4A
SCHEMBL6276981 0.79 TLR7 (0.42) MKNK1MKNK2MERTKTLR7ADORA3

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-1529049-A2 DERIVATIVES OF 2-TRIFLUORMETHYL-6-AMINOPURINE AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2005-05-11 EP claimed
WO-2004014913-A2 DERIVATIVES OF 2-TRIFLUORMETHYL-6-AMINOPURINE AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-02-19 WO claimed