SCHEMBL7362339

SCHEMBL7362339

CCCCn1nc(-c2c(-c3ccccc3)nn3ccncc23)ccc1=O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.60
HSD17B10 Q99714 1/20 0.44
USP2 O75604 1/20 0.39
EGFR P00533 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
IGF1R P08069 1/20 0.37

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 0.91 ADORA1 (0.54) ADORA1HSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL7373031 0.84 ADORA1 (0.48) ADORA1EGFRMAPTKMT2AIGF1R
SCHEMBL7368729 0.83 ADORA1 (0.52) ADORA1MEN1KMT2AKDM4EIGF1R
SCHEMBL7365823 0.82 ADORA1 (0.50) ADORA1
SCHEMBL7364802 0.81 ADORA1 (0.52) ADORA1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL8810012 0.81 ADORA1 (0.73) ADORA1HSD17B10EGFRSMN1; SMN2KDM4E
SCHEMBL7370080 0.79 ADORA1 (0.48) ADORA1MEN1CYP1A2KMT2AIGF1R
SCHEMBL7365508 0.79 ADORA1 (0.47) ADORA1MEN1KMT2AIGF1R
SCHEMBL4240548 0.77 FGFR1 (0.43) ADORA1MAPTKDM4EIGF1R
SCHEMBL5671140 0.77 GRM2 (0.42) ADORA1EGFR

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