SCHEMBL7363632

SCHEMBL7363632

Cc1ccc(-c2nn3ccncc3c2-c2ccc(=O)n(C(C)C)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 1/20 0.37
BMPR1A P36894 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVRL1 P37023 1/20 0.37
ACVR1 Q04771 1/20 0.37
MAPK14 Q16539 2/20 0.35
ADORA1 P30542 1/20 0.35
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
MAPT P10636 3/20 0.34
HRH3 Q9Y5N1 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
BRD4 O60885 1/20 0.34
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
CACNA1B Q00975 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL7362751 0.90 MAPK14 (0.42) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL7365171 0.90 BMPR1B (0.36) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL7367166 0.89 BRD4 (0.44) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL7362732 0.85 BMPR1B (0.37) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL7366115 0.83 USP2 (0.35) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL7367567 0.80 MAT2A (0.33) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL7364069 0.79 PDE1A (0.39) MAPK14ADORA1LMNAPOLBBRD4
SCHEMBL7036702 0.78 BMPR1B (0.34) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL7035938 0.77 BMPR1B (0.33) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL7039587 0.76 ADORA1 (0.57) MAPK14ADORA1

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