SCHEMBL875508

SCHEMBL875508

CC(C)(CC(N)=O)Cc1c(NC2CCC2)nc2c(C(F)(F)F)cccn2c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
F7 P08709 2/20 0.35
PRSS3 P35030 2/20 0.35
RXFP1 Q9HBX9 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ULK1 O75385 2/20 0.33
FLT3 P36888 4/20 0.33
CHEK1 O14757 4/20 0.33
AURKA O14965 3/20 0.33
NTRK1 P04629 3/20 0.33
IGF1R P08069 3/20 0.33
CDK2 P24941 3/20 0.33
CDK1 P06493 2/20 0.33
KIT P10721 2/20 0.33
JAK3 P52333 2/20 0.33
CDK6 Q00534 2/20 0.33
ALK Q9UM73 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
SCHEMBL876287 0.85 MAPT (0.35) RXFP1KMT2ATP53MAPTUSP7
SCHEMBL875250 0.83 RORC (0.38) RXFP1KMT2ATP53MAPTUSP7
SCHEMBL883352 0.79 KCNQ3 (0.37) PRSS1PRSS2F7PRSS3RXFP1
SCHEMBL875789 0.73 LMNA (0.42) KMT2ATP53MAPT
SCHEMBL875212 0.70 GUCY1B2 (0.34) KMT2AMAPT
SCHEMBL875780 0.67 KDM4E (0.49) RXFP1KMT2ATP53MAPT
SCHEMBL15887182 0.66 NPC1 (0.39) TP53MAPTAURKACDK1SYK
SCHEMBL883428 0.65 SMN1; SMN2 (0.40) RXFP1TP53MAPT
SCHEMBL876306 0.65 SMN1; SMN2 (0.40) RXFP1KMT2ATP53MAPTUSP7
SCHEMBL2217034 0.64 STK10 (0.42) KMT2AMAPTCDK1SYKSLK

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-2619202-A1 PYRIDMIDONES FOR TREATMENT OF POTASSIUM CHANNEL RELATED DISEASES Pfizer Inc (US) 2013-07-31 EP disclosed
WO-2012038850-A1 PYRIDMIDONES FOR TREATMENT OF POTASSIUM CHANNEL RELATED DISEASES PFIZER INC. (US) 2012-03-29 WO disclosed