SCHEMBL3348826

SCHEMBL3348826

C#Cc1cc2ncccn2n1.c1cc2sc1-2

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 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 0.88 APOBEC3A (0.51) APOBEC3AAPOBEC3G
SCHEMBL3347528 0.84 APOBEC3A (0.42) APOBEC3AAPOBEC3GNPC1MAPTRAB9A
SCHEMBL3346774 0.83 APOBEC3A (0.39) APOBEC3AAPOBEC3G
Pyridine SCHEMBL3347792 0.82 APOBEC3A (0.46) APOBEC3AAPOBEC3G
Toluene SCHEMBL9903136 0.81 APOBEC3A (0.43) APOBEC3AAPOBEC3G
SCHEMBL3347037 0.80 APOBEC3A (0.42) APOBEC3AAPOBEC3G
SCHEMBL3345963 0.79 APOBEC3A (0.41) APOBEC3AAPOBEC3G
Cyclohexene SCHEMBL9903643 0.79 APOBEC3A (0.41) APOBEC3AAPOBEC3G
SCHEMBL3346983 0.78 APOBEC3A (0.40) APOBEC3AAPOBEC3G
SCHEMBL3346197 0.77 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