SCHEMBL7909170

SCHEMBL7909170

CO[C@@H]1[C@H](O)[C@@H](COC2CCCC2)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ADORA3 P0DMS8 3/20 0.57
ADORA1 P30542 2/20 0.55
DNPH1 O43598 1/20 0.54
PRKAB2 O43741 1/20 0.54
TRPM2 O94759 1/20 0.54
LDHA P00338 1/20 0.54
ADRB2 P07550 1/20 0.54
FBP1 P09467 1/20 0.54
SRC P12931 1/20 0.54
P2RY2 P41231 1/20 0.54
P2RY1 P47900 1/20 0.54
PRKAG1 P54619 1/20 0.54
PRKAA2 P54646 1/20 0.54
PDE4D Q08499 1/20 0.54
KCNH2 Q12809 1/20 0.54
PRKAA1 Q13131 1/20 0.54
PDE3A Q14432 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL3699111 0.99 MEN1 (0.59) MEN1KMT2AADORA3ADORA1DNPH1
SCHEMBL120551 0.89 ADORA3 (0.69) MEN1KMT2AADORA3ADORA1DNPH1
SCHEMBL120562 0.88 ADORA3 (0.68) MEN1KMT2AADORA3ADORA1DNPH1
SCHEMBL7896942 0.87 ADORA1 (0.55) MEN1KMT2AADORA3ADORA1DNPH1
SCHEMBL8626012 0.87 ADORA3 (0.64) MEN1KMT2AADORA3ADORA1DNPH1
SCHEMBL12376383 0.87 ADORA3 (0.64) MEN1KMT2AADORA3ADORA1DNPH1
SCHEMBL12360837 0.87 ADORA3 (0.64) MEN1KMT2AADORA3ADORA1DNPH1
SCHEMBL21999233 0.87 ADORA3 (0.64) MEN1KMT2AADORA3ADORA1DNPH1
SCHEMBL6223541 0.86 ADORA3 (0.63) MEN1KMT2AADORA3ADORA1DNPH1
SCHEMBL7902992 0.85 ADORA1 (0.51) MEN1KMT2AADORA3ADORA1DNPH1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2184696-A None JP disclosed
US-RE37077-E1 Adenosine derivatives and pharmaceutical composition thereof NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2001-02-27 US disclosed
JP-H02184696-A ADENOSINE DERIVATIVE AND DRUG COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT NIPPON ZOKI PHARMACEUT CO LTD 1990-07-19 JP disclosed