SCHEMBL14404118

SCHEMBL14404118

N=Cc1cc(-c2cccnc2)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.53
MKNK2 Q9HBH9 4/20 0.53
MEN1 O00255 1/20 0.53
PSIP1 O75475 1/20 0.53
AXL P30530 1/20 0.53
ERN1 O75460 1/20 0.51
PIK3CD O00329 1/20 0.49
PIP5K1C O60331 1/20 0.49
PIK3CA P42336 1/20 0.49
PI4KA P42356 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
CYP2A6 P11509 3/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP11B1 P15538 5/20 0.47
CYP11B2 P19099 5/20 0.47
CYP19A1 P11511 2/20 0.47
CYP17A1 P05093 1/20 0.47
AURKA O14965 2/20 0.44

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
SCHEMBL18717220 0.84 MKNK1 (0.53) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL20180337 0.79 HSD17B10 (0.47) MEN1PIK3CAPI4KAPI4KBALDH1A1
SCHEMBL77876 0.79 MKNK1 (0.63) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL30516501 0.79 MKNK1 (0.63) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL12458074 0.77 ERN1 (0.48) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL22497670 0.76 MKNK1 (0.65) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL29898220 0.75 ALDH1A1 (0.61) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL28857629 0.75 ALDH1A1 (0.61) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL20409462 0.75 MKNK1 (0.58) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL11371958 0.75 MKNK1 (0.62) MKNK1MKNK2MEN1PSIP1AXL

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-2007117465-A2 INDAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2007-10-18 WO disclosed