SCHEMBL3784675

SCHEMBL3784675

Cc1cc(C)n2nc(C(=O)Nc3ccc4c(c3)OCO4)cc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 1.00
MAPT P10636 11/20 1.00
NPC1 O15118 11/20 1.00
SMN1; SMN2 Q16637 9/20 1.00
ALDH1A1 P00352 4/20 1.00
POLB P06746 3/20 0.70
HSD17B10 Q99714 3/20 0.70
TP53 P04637 3/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
HPGD P15428 2/20 0.70
USP2 O75604 1/20 0.70
KDM4E B2RXH2 2/20 0.68
PLEC Q15149 1/20 0.63
RXFP1 Q9HBX9 1/20 0.62
TSHR P16473 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
LMNA P02545 1/20 0.61
PKM P14618 2/20 0.58

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
SCHEMBL4734233 0.86 MAPT (0.75) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL31018723 0.77 PLEC (1.00) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL9926706 0.77 PLEC (1.00) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL17743028 0.74 PLEC (0.69) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL17730211 0.73 PLEC (0.62) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL1718398 0.73 MAPT (0.75) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL25155001 0.72 MAPT (0.69) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL4774558 0.72 NPC1 (0.59) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL15993268 0.72 PLEC (0.90) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL1719059 0.72 MAPT (0.80) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1

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-2010086040-A1 PYRAZOLO-PYRIMIDINES FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-08-05 WO claimed
WO-2010086040-A1 PYRAZOLO-PYRIMIDINES FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-08-05 WO disclosed