SCHEMBL7367567

SCHEMBL7367567

CC(C)n1nc(-c2c(-c3ccccc3F)nn3ccncc23)ccc1=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 2/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ADORA1 P30542 1/20 0.32
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32
MET P08581 1/20 0.30
PIM1 P11309 2/20 0.30
KDM5B Q9UGL1 1/20 0.30

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
SCHEMBL7371668 0.86 ADORA2A (0.37) CYP11B1CYP11B2ADORA1METPIM1
SCHEMBL7364069 0.86 PDE1A (0.39) CYP11B1CYP11B2ADORA1
SCHEMBL7362751 0.83 MAPK14 (0.42) ADORA1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL7362732 0.83 BMPR1B (0.37) CYP11B1CYP11B2ADORA1BMPR1BBMPR1A
SCHEMBL7366115 0.82 USP2 (0.35) MAT2ACYP11B1ADORA1BMPR1BBMPR1A
SCHEMBL5673343 0.82 ADORA2A (0.40) MAT2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL6824626 0.81 NPC1 (0.36) MAT2A
SCHEMBL7363632 0.80 BMPR1B (0.37) ADORA1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL7365171 0.79 BMPR1B (0.36) ADORA1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL7363841 0.78 PDE3A (0.45) CYP11B1CYP11B2PIM1

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