SCHEMBL16331729

SCHEMBL16331729

COc1ccc(Nc2nccc3c2cc(-c2ccsc2)n3C)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MAPT P10636 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ SIK1 P57059 1/20 0.43
▸ SIK2 Q9H0K1 1/20 0.43
▸ SIK3 Q9Y2K2 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ NCOA1 Q15788 1/20 0.42
▸ NCOA3 Q9Y6Q9 1/20 0.42
▸ FYN P06241 1/20 0.41
▸ MKNK2 Q9HBH9 4/20 0.41
▸ SHMT2 P34897 3/20 0.41
▸ MKNK1 Q9BUB5 3/20 0.40

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
SCHEMBL16373494 0.89 FYN (0.37) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL16331804 0.86 NPC1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL16332015 0.82 FYN (0.48) MEN1KMT2AALDH1A1HPGDMAPK1
SCHEMBL16331927 0.81 FYN (0.61) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL16331822 0.80 FYN (0.47) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL16331528 0.77 CYP2A6 (0.44) MEN1KMT2ASMN1; SMN2NPC1FYN
SCHEMBL16332653 0.77 MEN1 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL16332075 0.77 FYN (0.40) SMN1; SMN2NPC1FYNMKNK1LMNA
SCHEMBL16332052 0.75 FYN (0.39) MEN1KMT2ASMN1; SMN2NPC1FYN
SCHEMBL16332400 0.75 CTSC (0.42) MEN1KMT2ASMN1; SMN2NPC1FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458463-B2 Method for treatment of diabetes by a small molecule inhibitor for GRK5 MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-10-04 — — US claimed
EP-2818472-A1 Imidazo[4,5-c]pyridine and pyrrolo[3,2-c]pyridine compounds as G-protein-coupled receptor kinase 5 (GRK5) modulators Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 — — EP claimed
EP-2818472-A1 Imidazo[4,5-c]pyridine and pyrrolo[3,2-c]pyridine compounds as G-protein-coupled receptor kinase 5 (GRK5) modulators Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 — — EP disclosed
WO-2014207260-A1 PYRROLO[3,2-C]PYRIDINE COMPOUNDS AS G-PROTEIN-COUPLED RECEPTOR KINASE 5 (GRK5) MODULATORS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 — — WO disclosed
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