SCHEMBL5237397

SCHEMBL5237397

CCc1cccc(-c2cccn3nccc23)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 9/20 0.47
▸ DYRK1A Q13627 2/20 0.37
▸ NR3C1 P04150 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ IRAK4 Q9NWZ3 3/20 0.33
▸ THRB P10828 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ PDE1A P54750 1/20 0.31
▸ PDE1B Q01064 1/20 0.31
▸ PDE1C Q14123 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ DRD4 P21917 1/20 0.30
▸ DRD3 P35462 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
SCHEMBL17039118 0.73 HEXA (0.41) TGFBR1
SCHEMBL14526752 0.71 LMNA (0.44) TGFBR1
SCHEMBL244011 0.71 CCR1 (0.46) TGFBR1IRAK4THRBMAPK14
SCHEMBL13459007 0.69 DRD4 (0.46) NR3C1PGRPDE1APDE1BPDE1C
SCHEMBL14968989 0.69 ADRA2A (0.40) DYRK1AIRAK4
SCHEMBL8146301 0.68 TGFBR1 (0.36) TGFBR1IRAK4THRBMAPK14
SCHEMBL13830902 0.68 HTR2C (0.46) TGFBR1
SCHEMBL17034486 0.68 L3MBTL1 (0.48) —
SCHEMBL5237393 0.68 PDE10A (0.43) TGFBR1PDE10ADRD2DRD4DRD3
SCHEMBL24783953 0.67 CHRNA7 (0.40) TGFBR1THRBMAPK14DRD2

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
EP-1543001-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TGF BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2007-08-15 — — EP disclosed
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