SCHEMBL7368729

SCHEMBL7368729

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.52
IGF1R P08069 1/20 0.38
MAPK1 P28482 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ADRB2 P07550 1/20 0.33
PKM P14618 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
ADORA2A P29274 1/20 0.32

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
SCHEMBL7364039 0.88 ADORA1 (0.54) ADORA1IGF1RMAPK1MEN1KMT2A
SCHEMBL7301059 0.87 ADORA1 (0.67) ADORA1IGF1RMAPK1MEN1KMT2A
SCHEMBL7365823 0.83 ADORA1 (0.50) ADORA1POLBPTGDR2PDE4APDE4B
SCHEMBL7362339 0.83 ADORA1 (0.60) ADORA1IGF1RMEN1KMT2AKDM4E
SCHEMBL7364802 0.82 ADORA1 (0.52) ADORA1IGF1RMAPK1MEN1KMT2A
SCHEMBL7373031 0.81 ADORA1 (0.48) ADORA1IGF1RMAPK1KMT2AHTT
SCHEMBL7370080 0.81 ADORA1 (0.48) ADORA1IGF1RMAPK1MEN1KMT2A
SCHEMBL7365508 0.80 ADORA1 (0.47) ADORA1IGF1RMAPK1MEN1KMT2A
SCHEMBL7292709 0.77 ADORA1 (0.69) ADORA1IGF1RMAPK1HTTTSHR
SCHEMBL4240548 0.77 FGFR1 (0.43) ADORA1IGF1RMAPK1TSHRKDM4E

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