SCHEMBL7044503

SCHEMBL7044503

CCOc1cccc(-c2ccc(OC)c3nc(NC(=O)c4ccc(C)s4)nn23)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
HIF1A Q16665 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PDE4D Q08499 10/20 0.42
JAK2 O60674 1/20 0.41
CFTR P13569 1/20 0.40
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL7762520 0.92 JAK2 (0.48) HPGDSMN1; SMN2PDE4DJAK2KDM4E
SCHEMBL7766251 0.88 SMN1; SMN2 (0.47) HPGDSMN1; SMN2PDE4DJAK2HSD17B10
SCHEMBL7142931 0.88 PDE4D (0.51) HPGDSMN1; SMN2PDE4DKDM4EALDH1A1
SCHEMBL6871450 0.86 SMN1; SMN2 (0.45) HPGDSMN1; SMN2PDE4DJAK2HSD17B10
SCHEMBL7762456 0.86 SMN1; SMN2 (0.45) SMN1; SMN2PDE4DJAK2MAPT
SCHEMBL7146644 0.86 SMN1; SMN2 (0.53) HPGDSMN1; SMN2PDE4DHSD17B10KDM4E
SCHEMBL7762663 0.85 PDE4D (0.57) SMN1; SMN2PDE4DALDH1A1MAPT
SCHEMBL7766283 0.85 FYN (0.47) SMN1; SMN2PDE4DKDM4ENPSR1
SCHEMBL7765386 0.84 JAK2 (0.45) HPGDSMN1; SMN2PDE4DJAK2KDM4E
SCHEMBL6871008 0.83 JAK2 (0.51) SMN1; SMN2PDE4DJAK2CFTRKDM4E

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-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