SCHEMBL9833919

SCHEMBL9833919

COc1ccc2c(c1)-c1c(c(C(=O)C(C#N)C(=O)Nc3ccccc3)nn1-c1ccccc1)CO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.41
PIK3R2 O00459 2/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
PIK3R5 Q8WYR1 2/20 0.41
PIK3R3 Q92569 2/20 0.41
MAPT P10636 3/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL9833456 0.95 PIK3CD (0.41) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9833916 0.91 MAPT (0.42) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9833803 0.91 RAB9A (0.42) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9834320 0.90 PIK3CD (0.39) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9832830 0.89 PIK3CD (0.40) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9833627 0.88 PIK3CD (0.45) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9831070 0.88 NR1H4 (0.41) MAPTUSP2TSHRNPSR1ALDH1A1
SCHEMBL9833961 0.88 PIK3CD (0.40) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9834220 0.88 NR1H4 (0.40) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9316299 0.88 MAPT (0.39) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG

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 3 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
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