SCHEMBL6204003

SCHEMBL6204003

O=C(Nc1ccc(F)c(COc2cnccn2)c1)c1nnc(-c2ccccc2)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.41
▸ DGAT1 O75907 5/20 0.40
▸ TSHR P16473 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ SGMS2 Q8NHU3 1/20 0.39

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
SCHEMBL6079788 0.78 MEN1 (0.52) MEN1KMT2A
SCHEMBL6080735 0.77 BLM (0.55) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL6079940 0.74 ROCK2 (0.46) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL6079580 0.74 KCNH2 (0.38) MEN1KMT2AHTTLMNACYP11B1
SCHEMBL6079886 0.74 RAB9A (0.51) MAPTMEN1KMT2AMAPK1NPC1
SCHEMBL6079119 0.74 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL6079669 0.73 HDAC3 (0.43) MAPTMEN1KMT2AMAPK1NPC1
SCHEMBL6078849 0.73 BRAF (0.48) TSHRMEN1KMT2ANPSR1ALOX15
SCHEMBL6079633 0.72 KCNJ6 (0.64) LMNA
SCHEMBL6079858 0.72 SYK (0.45) KMT2A

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-1545523-A1 3-&-grave;(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES ASP38 MAP KINASE INHIBITORS Astex Technology Limited (GB) 2005-06-29 — — EP disclosed
WO-2004004720-A1 3-`(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES AS P38 MAP KINASE INHIBITORS ASTEX TECHNOLOGY LIMITED (GB) 2004-01-15 — — WO disclosed
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