SCHEMBL5358019

SCHEMBL5358019

O=C(O)c1ccc2ncc3nncn3c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.49
KDM4E B2RXH2 4/20 0.41
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.40
HCAR3 P49019 3/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK8 P45983 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5362222 0.89 HCAR3 (0.49) FGFR1HPGDHCAR3ALDH1A1LMNA
SCHEMBL31744961 0.87 FGFR1 (0.40) FGFR1KDM4EHPGDMAPTALDH1A1
SCHEMBL5364346 0.78 TP53 (0.52) KDM4EHPGDMAPTALDH1A1LMNA
SCHEMBL5358234 0.77 LMNA (0.48) HPGDLMNAMEN1MAPK1KMT2A
SCHEMBL796768 0.76 NPM1 (0.43) HPGDMAPTALDH1A1LMNAHSD17B10
SCHEMBL31613927 0.75 FGFR1 (0.50) FGFR1KDM4EHPGDHCAR3ALDH1A1
SCHEMBL5352150 0.73 ALDH1A1 (0.55) HPGDALDH1A1MAPK1
SCHEMBL10733133 0.72 KDM4E (0.55) FGFR1KDM4EHPGDMAPTHCAR3
SCHEMBL31325815 0.72 KDM4E (0.53) KDM4EMAPTALDH1A1LMNAHSD17B10
SCHEMBL29892764 0.70 HPGD (0.47) FGFR1KDM4EHPGDMAPTHCAR3

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
CN-118359617-A Protein arginine methyltransferase inhibitors 华润医药研究院(深圳)有限公司 2024-07-19 CN disclosed
US-7202245-B2 Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines PFIZER INC. (US) 2007-04-10 US disclosed