SCHEMBL7364802

SCHEMBL7364802

NC(=S)Cn1nc(-c2c(-c3ccccc3)nn3ccncc23)ccc1=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.52
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ADRB2 P07550 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
IGF1R P08069 1/20 0.36
HDAC1 Q13547 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL7488213 0.88 ADORA1 (0.66) ADORA1MAPK1KDM4EMEN1KMT2A
SCHEMBL7364039 0.85 ADORA1 (0.54) ADORA1MAPK1KDM4EMEN1KMT2A
SCHEMBL7368729 0.82 ADORA1 (0.52) ADORA1MAPK1KDM4EMEN1KMT2A
SCHEMBL7365823 0.81 ADORA1 (0.50) ADORA1HDAC1
SCHEMBL7362339 0.81 ADORA1 (0.60) ADORA1KDM4EMEN1KMT2AIGF1R
SCHEMBL7373031 0.79 ADORA1 (0.48) ADORA1MAPK1KMT2AALDH1A1HTT
SCHEMBL7370080 0.78 ADORA1 (0.48) ADORA1MAPK1MEN1KMT2AALDH1A1
SCHEMBL7365508 0.78 ADORA1 (0.47) ADORA1MAPK1MEN1KMT2AIGF1R
SCHEMBL11403000 0.76 HTT (0.59) KDM4EMEN1KMT2AALDH1A1ADRB2
SCHEMBL8639797 0.75 ADORA1 (0.72) ADORA1MAPK1KDM4EHTTTSHR

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