SCHEMBL9834320

SCHEMBL9834320

Cc1ccc2c(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 0.39
PIK3R2 O00459 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
PIK3R5 Q8WYR1 2/20 0.39
PIK3R3 Q92569 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RIPK1 Q13546 1/20 0.37
MAPT P10636 4/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL10568771 0.90 MAPT (0.41) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9833141 0.90 KCNJ6 (0.41) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9833627 0.90 PIK3CD (0.45) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9833961 0.90 PIK3CD (0.40) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9834220 0.90 NR1H4 (0.40) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9316299 0.90 MAPT (0.39) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9831070 0.90 NR1H4 (0.41) ALDH1A1RIPK1MAPTPOLBCYP1A2
SCHEMBL9316748 0.90 MAPT (0.44) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9833919 0.90 PIK3CD (0.41) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL10568130 0.90 MAPT (0.35) 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 2 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