SCHEMBL7439244

SCHEMBL7439244

CC(CCC(=O)NCC#N)CNC(=O)c1ccc(-c2csc(Nc3cccnc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
ALDH1A1 P00352 5/20 0.49
MAPK1 P28482 3/20 0.48
CLK1 P49759 1/20 0.48
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
NPC1 O15118 5/20 0.47
LMNA P02545 4/20 0.47
ALOX12 P18054 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GLA P06280 1/20 0.41
PIK3CG P48736 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
VCP P55072 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
SCHEMBL6182002 0.86 RAB9A (0.51) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL6184196 0.80 MEN1 (0.50) MAPTALDH1A1MAPK1CLK1MEN1
SCHEMBL6183920 0.76 NPC1 (0.45) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL7455830 0.74 KMT2A (0.44) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL6184482 0.73 RAB9A (0.51) MAPTALDH1A1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL6400682 0.73 MAPT (0.59) MAPTALDH1A1MAPK1CLK1MEN1
SCHEMBL6184205 0.73 MAPT (0.49) MAPTALDH1A1MAPK1CLK1MEN1
SCHEMBL1473404 0.73 NPC1 (0.80) MAPTALDH1A1MAPK1CLK1MEN1
SCHEMBL6185210 0.72 MAPT (0.54) MAPTALDH1A1MAPK1CLK1MEN1
SCHEMBL7554938 0.71 MAPT (0.91) MAPTALDH1A1MAPK1CLK1MEN1

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
WO-2001068645-A2 N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-09-20 WO claimed
WO-2001068645-A2 N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-09-20 WO disclosed