SCHEMBL4966979

SCHEMBL4966979

COOC(=O)c1ncccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
GRM4 Q14833 8/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 2/20 0.41
CFTR P13569 1/20 0.41
BRD4 O60885 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
AGER Q15109 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NAPRT Q6XQN6 1/20 0.37

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
SCHEMBL30232753 0.86 L3MBTL1 (0.60) L3MBTL1GRM4CYP3A4CYP1A2ALDH1A1
SCHEMBL126054 0.86 L3MBTL1 (0.60) L3MBTL1GRM4CYP3A4CYP1A2ALDH1A1
SCHEMBL2482284 0.85 BRD4 (0.43) L3MBTL1GRM4CYP3A4CYP1A2ALDH1A1
SCHEMBL29922777 0.81 BRD4 (0.60) GRM4CYP3A4CYP1A2ALDH1A1HSD17B10
SCHEMBL1187172 0.81 BRD4 (0.60) GRM4CYP3A4CYP1A2ALDH1A1HSD17B10
SCHEMBL28430192 0.78 GRM4 (0.43) L3MBTL1GRM4CYP3A4CYP1A2ALDH1A1
SCHEMBL27593401 0.78 GRM4 (0.41) L3MBTL1GRM4CYP3A4CYP1A2ALDH1A1
SCHEMBL31233647 0.77 ALDH1A1 (0.40) L3MBTL1GRM4CYP3A4CYP1A2ALDH1A1
Bromide SCHEMBL27499524 0.77 GRM4 (0.41) L3MBTL1GRM4CYP3A4CYP1A2ALDH1A1
SCHEMBL27611622 0.76 ALDH1A1 (0.60) L3MBTL1CYP3A4CYP1A2ALDH1A1HSD17B10

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-1957478-A2 NEW COMPOUNDS AstraZeneca AB (SE) 2008-08-20 EP disclosed
WO-2007061360-A2 NOVEL 3-BICYCLOCARBONYLAMINOPYRIDINE-2-CARBOXAMIDES OR 3-BICYCLOCARBONYLAMINOPYRAZINE-2-CARBOXAMIDES ASTRAZENECA AB (SE) 2007-05-31 WO disclosed