SCHEMBL7035938

SCHEMBL7035938

C=C(C)c1nn2ccncc2c1-c1ccc(=O)n(C(C)C)n1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 1/20 0.33
BMPR1A P36894 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL7039890 0.84 PDE5A (0.42)
SCHEMBL7036702 0.81 BMPR1B (0.34) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL7363632 0.77 BMPR1B (0.37) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL7365171 0.76 BMPR1B (0.36) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL7362751 0.76 MAPK14 (0.42) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL7367567 0.74 MAT2A (0.33) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL7367166 0.74 BRD4 (0.44) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL7038474 0.74 PDE5A (0.41)
SCHEMBL7362732 0.74 BMPR1B (0.37) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL7038467 0.73 HTR2A (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003004494-A1 PYRIDAZINONE COMPOUND AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-16 WO disclosed