SCHEMBL7367166

SCHEMBL7367166

COc1ccc(-c2nn3ccncc3c2-c2ccc(=O)n(C(C)C)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
CCNE2 O96020 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
SRC P12931 2/20 0.35
PIK3CD O00329 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
HCK P08631 1/20 0.35
KDR P35968 1/20 0.35
PIK3CA P42336 1/20 0.35

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
SCHEMBL7363632 0.89 BMPR1B (0.37) BRD4MAPTHRH3BMPR1BBMPR1A
SCHEMBL7362751 0.88 MAPK14 (0.42) EGFRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL7365171 0.88 BMPR1B (0.36) BRD4KDM4EMAPTHRH3BMPR1B
SCHEMBL7362732 0.83 BMPR1B (0.37) HRH3SRCPIK3CDABL1EGFR
SCHEMBL7364069 0.82 PDE1A (0.39) BRD4KDM4EALDH1A1LMNAPOLB
SCHEMBL7366115 0.80 USP2 (0.35) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL7367727 0.79 LMNA (0.53) BRD4KDM4EMAPTHTTCCNE2
SCHEMBL6818465 0.79 MAPK14 (0.42) MAPTFGFR1FGFR2FGFR3HRH3
SCHEMBL6821959 0.78 ADORA1 (0.42) FGFR1FGFR2FGFR3EGFRADORA1
SCHEMBL7367567 0.78 MAT2A (0.33) 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