SCHEMBL3346774

SCHEMBL3346774

C#Cc1cc2ncccn2n1.c1sc2cc1-2

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
DYRK1A Q13627 2/20 0.33
DYRK1B Q9Y463 2/20 0.33

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
Benzene SCHEMBL1991469 0.85 APOBEC3A (0.51) APOBEC3AAPOBEC3GDYRK1ADYRK1B
SCHEMBL3348826 0.83 APOBEC3A (0.41) APOBEC3AAPOBEC3G
SCHEMBL3347528 0.81 APOBEC3A (0.42) APOBEC3AAPOBEC3GDYRK1ADYRK1B
SCHEMBL3345963 0.80 APOBEC3A (0.41) APOBEC3AAPOBEC3G
Pyridine SCHEMBL3347792 0.80 APOBEC3A (0.46) APOBEC3AAPOBEC3GDYRK1A
SCHEMBL3346983 0.79 APOBEC3A (0.40) APOBEC3AAPOBEC3G
SCHEMBL3347037 0.78 APOBEC3A (0.42) APOBEC3AAPOBEC3GDYRK1ADYRK1B
Cyclohexene SCHEMBL9903643 0.77 APOBEC3A (0.41) APOBEC3AAPOBEC3G
Toluene SCHEMBL9903136 0.76 APOBEC3A (0.43) APOBEC3AAPOBEC3GDYRK1B
SCHEMBL3346197 0.75 APOBEC3A (0.37) APOBEC3AAPOBEC3G

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
WO-2010063487-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2010-06-10 WO claimed
WO-2010063487-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2010-06-10 WO disclosed