SCHEMBL21479005

SCHEMBL21479005

Nc1cccc(-c2[nH]ncc2N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.50
ENPP2 Q13822 1/20 0.50
MAP4K4 O95819 6/20 0.47
DYRK1B Q9Y463 1/20 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
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
PRKDC P78527 1/20 0.45
MAOA P21397 1/20 0.45
PDPK1 O15530 1/20 0.44
AURKA O14965 1/20 0.44
ATAD2 Q6PL18 1/20 0.42
CYP3A4 P08684 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL15428675 0.82 HTR1A (0.54) MAP4K4MEN1
SCHEMBL695032 0.80 LMNA (0.53) METAP2DYRK1BMEN1AURKANPC1
SCHEMBL28134960 0.74 CYP2A6 (0.50) METAP2MEN1PSIP1AXLMKNK1
SCHEMBL22347150 0.71 MAP4K4 (0.49) METAP2ENPP2MAP4K4MEN1PSIP1
SCHEMBL8266373 0.70 FGFR1 (0.70) METAP2MAP4K4DYRK1BMEN1AXL
SCHEMBL30500254 0.70 MAOA (0.83) MAP4K4MEN1PSIP1AXLMKNK1
SCHEMBL29403794 0.70 MAOA (0.83) MAP4K4MEN1PSIP1AXLMKNK1
SCHEMBL251095 0.70 MAOA (0.83) MAP4K4MEN1PSIP1AXLMKNK1
SCHEMBL28093874 0.69 METAP2 (0.68) METAP2ENPP2MAP4K4AXLPIK3CD
SCHEMBL980068 0.68 CHEK1 (0.59) METAP2ENPP2MAP4K4MEN1PSIP1

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-2019196937-A1 SELECTIVE JAK2 INHIBITOR AND APPLICATION THEREOF 华东理工大学 2019-10-17 WO disclosed