SCHEMBL10568130

SCHEMBL10568130

CC(C)(C)c1ccc2c(c1)-c1c(c(C(=O)C(C#N)C(=O)Nc3ccccc3)nn1-c1ccccc1)CO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
POLB P06746 1/20 0.35
MAPK13 O15264 2/20 0.35
MAPK12 P53778 2/20 0.35
MAPK11 Q15759 2/20 0.35
MAPK14 Q16539 2/20 0.35
P2RY1 P47900 1/20 0.34
PIK3CD O00329 2/20 0.33
PIK3R2 O00459 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
PIK3R5 Q8WYR1 2/20 0.33
PIK3R3 Q92569 2/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
CCNA2 P20248 2/20 0.33

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
SCHEMBL9834320 0.90 PIK3CD (0.39) MAPTPOLBPIK3CDPIK3R2PIK3CA
SCHEMBL9831843 0.89 MAPK13 (0.37) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL9833627 0.88 PIK3CD (0.45) MAPTPOLBPIK3CDPIK3R2PIK3CA
SCHEMBL9831070 0.88 NR1H4 (0.41) MAPTPOLBALDH1A1LMNACCNA2
SCHEMBL9834220 0.88 NR1H4 (0.40) MAPTPOLBPIK3CDPIK3R2PIK3CA
SCHEMBL9833961 0.88 PIK3CD (0.40) MAPTPOLBPIK3CDPIK3R2PIK3CA
SCHEMBL9316299 0.88 MAPT (0.39) MAPTPOLBPIK3CDPIK3R2PIK3CA
SCHEMBL9316748 0.87 MAPT (0.44) MAPTPOLBPIK3CDPIK3R2PIK3CA
SCHEMBL9833919 0.87 PIK3CD (0.41) MAPTPOLBMAPK13MAPK12MAPK11
SCHEMBL9522469 0.87 PIK3CD (0.36) MAPTPOLBPIK3CDPIK3R2PIK3CA

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
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