SCHEMBL6217320

SCHEMBL6217320

Cc1cn2cc(C(N)=O)cc(N)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.43
LMNA P02545 1/20 0.38
IKBKB O14920 2/20 0.34
LIMK1 P53667 2/20 0.34
CHUK O15111 1/20 0.34
PRKACA P17612 1/20 0.34
PRKACG P22612 1/20 0.34
PRKACB P22694 1/20 0.34
BTK Q06187 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PARP1 P09874 2/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
POLB P06746 1/20 0.33
TGFBR1 P36897 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 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
SCHEMBL6214030 0.93 GRM5 (0.40) GRM5LMNAIKBKBLIMK1CHUK
SCHEMBL4654965 0.87 RXFP1 (0.38) GRM5KDM4EALDH1A1HSD17B10POLB
Bromide SCHEMBL5306710 0.86 RXFP1 (0.37) GRM5KDM4EALDH1A1HSD17B10POLB
SCHEMBL25417803 0.85 GRM5 (0.44) GRM5LMNAIKBKBLIMK1CHUK
SCHEMBL31309742 0.83 MAPT (0.43) GRM5LMNAKDM4EALDH1A1HSD17B10
SCHEMBL25193989 0.83 GRM5 (0.51) GRM5LMNAPARP1PARP15PARP10
SCHEMBL4654873 0.80 ALDH1A1 (0.41) GRM5LMNAKDM4EALDH1A1CYP1A2
SCHEMBL6355229 0.75 GRM5 (0.37) GRM5LMNAKDM4EALDH1A1HSD17B10
SCHEMBL4163641 0.73 CYP3A4 (0.49) GRM5LMNAKDM4EALDH1A1HSD17B10
SCHEMBL4891536 0.73 RXFP1 (0.41) KDM4EALDH1A1HSD17B10POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073657-B1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 2005-12-07 EP disclosed
US-6313137-B1 FOR THERAPY AND PROPHYLAXIS OF GASTROINTESTINAL INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2001-11-06 US disclosed
EP-1073657-A1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION AstraZeneca AB (SE) 2001-02-07 EP disclosed
WO-1999055706-A9 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRA AB (SE) 2000-03-16 WO disclosed
WO-1999055706-A1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 1999-11-04 WO disclosed