SCHEMBL6306346

SCHEMBL6306346

Cc1nnc(Sc2nc3cc(-c4ccccc4C=O)ccc3nc2C(F)(F)F)s1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 1/20 0.40
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
POLB P06746 1/20 0.32
MAPT P10636 3/20 0.32
TRPA1 O75762 1/20 0.31
XDH P47989 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ENPP1 P22413 1/20 0.31
KDM4E B2RXH2 2/20 0.30
HPGD P15428 2/20 0.30
ALDH1A1 P00352 1/20 0.30
KDR P35968 1/20 0.30
LMNA P02545 1/20 0.30
BACE1 P56817 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30

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
SCHEMBL6307235 0.81 PIK3R1 (0.33) PIK3R1PIK3CAPOLBHPGDALDH1A1
SCHEMBL6306350 0.77 GLP1R (0.41) GLP1RPOLBMAPTKDM4EHPGD
SCHEMBL6303849 0.74 GLP1R (0.67) GLP1RPOLBMAPTKDM4EALDH1A1
SCHEMBL6303827 0.73 NPC1 (0.46) GLP1RPIK3CAMAPTKDM4EHPGD
SCHEMBL6304414 0.73 PIK3R1 (0.39) PIK3R1PIK3CAPOLBMAPTTRPA1
SCHEMBL6303978 0.73 PIK3R1 (0.39) PIK3R1PIK3CAPOLBMAPTTRPA1
SCHEMBL9900107 0.73 GLP1R (0.48) GLP1RPOLBMAPTNPSR1ALDH1A1
SCHEMBL6304106 0.70 GLP1R (0.58) GLP1RMAPTALDH1A1KDR
SCHEMBL1954351 0.62 ALDH1A1 (0.42) MAPTXDHKDM4EHPGDALDH1A1
SCHEMBL6310836 0.62 ALDH1A1 (0.44) POLBMAPTNPSR1KDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6927214-B1 Non-peptide GLP-1 agonists NOVO NORDISK A/S (DK) 2005-08-09 US disclosed