SCHEMBL7370798

SCHEMBL7370798

CC(C)n1nc(-c2cc[c]c(Cl)c2)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 1/20 0.41
BMPR1A P36894 1/20 0.41
TGFBR1 P36897 1/20 0.41
ACVRL1 P37023 1/20 0.41
ACVR1 Q04771 1/20 0.41
LMNA P02545 4/20 0.39
TP53 P04637 3/20 0.39
POLB P06746 5/20 0.38
MAPT P10636 6/20 0.37
HRH3 Q9Y5N1 3/20 0.37
THRB P10828 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HDAC1 Q13547 1/20 0.32
HSD11B1 P28845 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL1640803 0.72 HRH3 (0.49) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL11246577 0.71 BMPR1B (0.46) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL25408858 0.70 KEAP1 (0.47) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL11403155 0.69 CA1 (0.45) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10072113 0.68 BMPR1B (0.34) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL1640003 0.67 BMPR1B (0.48) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL1640521 0.67 BMPR1B (0.48) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL8004896 0.66 EDNRB (0.37) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL5584076 0.65 AHR (0.35)
SCHEMBL1640484 0.65 BMPR1B (0.44) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1

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