SCHEMBL9833916

SCHEMBL9833916

COc1cccc(-n2nc(C(=O)C(C#N)C(=O)Nc3ccccc3)c3c2-c2ccccc2OC3)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
PIK3CD O00329 1/20 0.41
PIK3R2 O00459 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
PIK3R5 Q8WYR1 1/20 0.41
PIK3R3 Q92569 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
TP53 P04637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL9833803 0.97 RAB9A (0.42) MAPTPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL9833919 0.91 PIK3CD (0.41) MAPTPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL10568771 0.91 MAPT (0.41) MAPTPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL9316748 0.90 MAPT (0.44) MAPTPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL9831514 0.90 MAPT (0.42) MAPTPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL9834929 0.89 CCNA2 (0.41) MAPTPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL9171526 0.88 MAPK13 (0.41) MAPTPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL9833141 0.87 KCNJ6 (0.41) MAPTPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL9833456 0.87 PIK3CD (0.41) MAPTPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL9833151 0.87 IDO1 (0.40) MAPTPOLBGAAHTTMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274443-B1 HETEROARYL 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1991-05-29 EP disclosed
EP-0217353-B1 SILVER HALIDE COLOR PHOTOGRAPHIC MATERIALS FUJI PHOTO FILM CO., LTD. (JP) 1991-01-16 EP disclosed
US-4816467-A BACTERICIDES, VIRICIDES FARMITALIA CARLO ERBA S.R.L (IT) 1989-03-28 US disclosed
EP-0274443-A1 Heteroaryl 3-oxo-propanenitrile derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-07-13 EP disclosed