SCHEMBL9522746

SCHEMBL9522746

CC(C)(C)OC(=O)c1ccc2c(c1)-c1c(c(C(=O)C(C#N)C(=O)Nc3ccccc3)nn1-c1ccccc1)CS2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.37
MAPT P10636 5/20 0.33
NTRK1 P04629 1/20 0.33
NTRK2 Q16620 1/20 0.33
LMNA P02545 1/20 0.33
MAPK13 O15264 5/20 0.33
MAPK12 P53778 5/20 0.33
MAPK11 Q15759 5/20 0.33
MAPK14 Q16539 5/20 0.33
KMT2A Q03164 1/20 0.32
PIK3CD O00329 3/20 0.32
PIK3R2 O00459 3/20 0.32
PIK3CA P42336 3/20 0.32
PIK3CB P42338 3/20 0.32
PIK3CG P48736 3/20 0.32
PIK3R5 Q8WYR1 3/20 0.32
PIK3R3 Q92569 3/20 0.32

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
SCHEMBL9522441 0.93 TP53 (0.44) TP53MAPTLMNAKMT2APIK3CD
SCHEMBL9522233 0.90 KMT2A (0.44) TP53MAPTLMNAKMT2APIK3CD
SCHEMBL9523890 0.89 TP53 (0.35) TP53MAPTLMNAKMT2APIK3CD
SCHEMBL9175534 0.87 NTRK1 (0.34) MAPTNTRK1NTRK2MAPK13MAPK12
SCHEMBL9523089 0.87 TP53 (0.38) TP53MAPTLMNA
SCHEMBL9523104 0.87 TP53 (0.35) TP53MAPTNTRK1NTRK2LMNA
SCHEMBL9316680 0.86 MAPT (0.45) TP53MAPTLMNAPIK3CDPIK3R2
SCHEMBL9522373 0.86 AURKB (0.34) TP53MAPTLMNAMAPK14PIK3CD
SCHEMBL9831789 0.86 TP53 (0.41) TP53MAPTMAPK13MAPK12MAPK11
SCHEMBL9523673 0.85 TP53 (0.35) TP53MAPTLMNAMAPK13MAPK12

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-0420883-B1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION ERBA CARLO SPA (IT) 1993-11-03 EP disclosed
US-5166152-A Immunostimulants, bactericides, viricides, antitumor agents FARMITALIA CARLO ERBA S.R.L. (IT) 1992-11-24 US disclosed
EP-0420883-A1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION. ERBA CARLO SPA (IT) 1991-04-10 EP disclosed
WO-1989012638-A1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1989-12-28 WO disclosed