SCHEMBL30366114

SCHEMBL30366114

O=[N+]([O-])c1nc(-c2cc(Cl)ccc2F)cc(Br)c1O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 4/20 0.41
S1PR4 O95977 3/20 0.40
NPBWR1 P48145 1/20 0.36
MAPT P10636 5/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
RIPK1 Q13546 1/20 0.34
USP7 Q93009 1/20 0.34
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
ACVR1B P36896 2/20 0.33
TGFBR1 P36897 2/20 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
SCHEMBL24568079 0.85 S1PR4 (0.43) S1PR4NPBWR1MAPTMEN1KMT2A
SCHEMBL30365733 0.80 MAPT (0.42) S1PR4MAPTMEN1KMT2AHTT
SCHEMBL24568276 0.80 MAPT (0.42) S1PR4MAPTMEN1KMT2AHTT
SCHEMBL24568807 0.77 AMY1A (0.40) AMY1AACVR1BTGFBR1
SCHEMBL29694366 0.77 AMY1A (0.40) AMY1AACVR1BTGFBR1
SCHEMBL28994437 0.75 AMY1A (0.41) AMY1AS1PR4NPBWR1MAPTMEN1
SCHEMBL30365942 0.72 MAPT (0.40) S1PR4MAPTMEN1KMT2AHTT
SCHEMBL4002630 0.69 GPR35 (0.36) AMY1AMAPTMEN1KMT2AHTT
SCHEMBL30365841 0.69 GPR35 (0.36) AMY1AMAPTMEN1KMT2AHTT
SCHEMBL31166598 0.67 GPR35 (0.38) S1PR4MAPTMEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4182323-B1 PYRIDO OXAZINE AMINO DERIVATIVES AS ALK5 INHIBITORS CHIESI FARM SPA (IT) 2024-04-24 EP disclosed
EP-4182323-A1 PYRIDO OXAZINE AMINO DERIVATIVES AS ALK5 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2023-05-24 EP disclosed
CN-116075307-A Pyridooxazine amino derivatives as ALK5 inhibitors 奇斯药制品公司 2023-05-05 CN disclosed