SCHEMBL7044467

SCHEMBL7044467

COc1ccc(-c2ccccc2F)n2nc(NC(=O)c3ccc(C)s3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
JAK1 P23458 1/20 0.41
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
IMPDH2 P12268 1/20 0.38
PDE4D Q08499 1/20 0.38
NAMPT P43490 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL7766259 0.91 SMN1; SMN2 (0.51) SMN1; SMN2JAK1MAPTTP53KMT2A
SCHEMBL7766248 0.89 SMN1; SMN2 (0.49) SMN1; SMN2JAK1MAPTTP53KMT2A
SCHEMBL7146644 0.87 SMN1; SMN2 (0.53) SMN1; SMN2MAPTTP53KMT2AALDH1A1
SCHEMBL6871450 0.84 SMN1; SMN2 (0.45) SMN1; SMN2MAPTTP53ALDH1A1LMNA
SCHEMBL7143968 0.83 LMNA (0.47) SMN1; SMN2JAK1MAPTGAATP53
SCHEMBL7765412 0.83 SMN1; SMN2 (0.47) SMN1; SMN2JAK1MAPTKMT2AALDH1A1
SCHEMBL7044324 0.82 KMT2A (0.46) SMN1; SMN2MAPTGAATP53KMT2A
SCHEMBL7766251 0.81 SMN1; SMN2 (0.47) SMN1; SMN2MAPTTP53LMNAHSD17B10
SCHEMBL7767039 0.81 SMN1; SMN2 (0.46) SMN1; SMN2JAK1MAPTKMT2AALDH1A1
SCHEMBL7762520 0.81 JAK2 (0.48) SMN1; SMN2MAPTKMT2ARAB9AMEN1

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
EP-1412352-A1 8-METHOXY-(1,2,4)TRIAZOLO(1,5-A)PYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-28 EP claimed
WO-2003010167-A1 8-METHOXY-(1,2,4)TRIAZOLO(1,5-A)PYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-06 WO claimed
US-6514989-B1 Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor HOFFMANN-LA ROCHE INC. 2003-02-04 US disclosed
US-6514989-B1 Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor HOFFMANN-LA ROCHE INC. 2003-02-04 US disclosed