SCHEMBL16601738

SCHEMBL16601738

Nc1cccc(-c2cnc3c(c2)C(=O)C(=O)c2cc(-c4cccc(N)c4)cnc2-3)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 5/20 0.56
KIT P10721 3/20 0.49
NTRK1 P04629 3/20 0.47
MEN1 O00255 1/20 0.46
PSIP1 O75475 1/20 0.46
AXL P30530 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
MAOA P21397 1/20 0.46
FYN P06241 1/20 0.45
PIK3CA P42336 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
DYRK1A Q13627 1/20 0.43
DHODH Q02127 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL12556925 0.80 NPC1 (0.50) MAP4K4NTRK1MEN1AXLMKNK1
SCHEMBL16602016 0.76 MAP4K4 (0.56) MAP4K4NTRK1AXLFYNDYRK1A
SCHEMBL2643156 0.72 MAP4K4 (1.00) MAP4K4KITNTRK1MEN1PSIP1
SCHEMBL16601622 0.71 KMT2A (0.48) MAP4K4NTRK1FYNNPC1RAB9A
SCHEMBL24270332 0.71 MAP4K4 (0.74) MAP4K4KITNTRK1MEN1PSIP1
SCHEMBL30500254 0.71 MAOA (0.83) MAP4K4MEN1PSIP1AXLMKNK1
SCHEMBL29403794 0.71 MAOA (0.83) MAP4K4MEN1PSIP1AXLMKNK1
SCHEMBL251095 0.71 MAOA (0.83) MAP4K4MEN1PSIP1AXLMKNK1
SCHEMBL16601684 0.70 USP7 (0.56) MAP4K4MEN1FYNDYRK1ANPC1
SCHEMBL28112786 0.70 BIRC5 (0.51) MEN1

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-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed