SCHEMBL7364039

SCHEMBL7364039

CCn1nc(-c2c(-c3ccccc3)nn3ccncc23)ccc1=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.54
TBXAS1 P24557 1/20 0.40
IGF1R P08069 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL7362339 0.91 ADORA1 (0.60) ADORA1IGF1RSMN1; SMN2MEN1KMT2A
SCHEMBL7368729 0.88 ADORA1 (0.52) ADORA1IGF1RHTTMAPK1MEN1
SCHEMBL7365823 0.86 ADORA1 (0.50) ADORA1POLBPDE4APDE4BPDE4C
SCHEMBL7373031 0.86 ADORA1 (0.48) ADORA1IGF1RHTTMAPK1KMT2A
SCHEMBL7364802 0.85 ADORA1 (0.52) ADORA1IGF1RHTTSMN1; SMN2MAPK1
SCHEMBL7370080 0.84 ADORA1 (0.48) ADORA1IGF1RMAPK1MEN1KMT2A
SCHEMBL7365508 0.83 ADORA1 (0.47) ADORA1IGF1RMAPK1MEN1KMT2A
SCHEMBL5673482 0.82 CREBBP (0.44) ADORA1TBXAS1IGF1RSMN1; SMN2ADORA3
SCHEMBL4240548 0.81 FGFR1 (0.43) ADORA1IGF1RMAPK1KDM4E
SCHEMBL6821431 0.81 ADORA1 (0.51) ADORA1IGF1RHTTMAPK1HSD17B10

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-1244669-A1 PYRAZOLOPYRAZINES AND THEIR USE AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-10-02 EP disclosed
WO-2001040230-A1 PYRAZOLOPYRAZINES AND THEIR USE AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-07 WO disclosed