SCHEMBL3225334

SCHEMBL3225334

O=C(Nc1cccnc1)c1cc(Nc2ccccc2)ncn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
NAMPT P43490 3/20 0.56
MAPK8 P45983 1/20 0.54
MAPK10 P53779 1/20 0.54
NPC1 O15118 4/20 0.51
PKM P14618 2/20 0.51
LMNA P02545 2/20 0.51
CYP11B2 P19099 2/20 0.51
GAA P10253 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 2/20 0.50
TP53 P04637 2/20 0.50
S1PR1 P21453 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP11B1 P15538 1/20 0.49

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
SCHEMBL3226154 0.88 S1PR1 (0.61) RAB9AMAPK8MAPK10NPC1ALDH1A1
SCHEMBL3226485 0.87 HTT (0.57) RAB9ANAMPTNPC1PKMLMNA
SCHEMBL31520136 0.86 LMNA (0.61) RAB9ANAMPTNPC1PKMLMNA
SCHEMBL1938467 0.82 KMO (0.63) RAB9ANAMPTNPC1PKMLMNA
SCHEMBL3221150 0.82 S1PR1 (0.58) RAB9ALMNAALDH1A1S1PR1SMN1; SMN2
SCHEMBL3229139 0.82 S1PR1 (0.72) RAB9ANPC1S1PR1SMN1; SMN2MEN1
SCHEMBL3227055 0.82 S1PR1 (0.58) RAB9ALMNAALDH1A1S1PR1SMN1; SMN2
SCHEMBL3228067 0.81 EGFR (0.58) RAB9ANPC1GAAS1PR1MEN1
SCHEMBL29594106 0.80 HSD17B10 (0.61) RAB9ANAMPTNPC1PKMLMNA
SCHEMBL3230105 0.80 MMP13 (0.59) HSD17B10ALDH1A1TP53SMN1; SMN2KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010020432-A8 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED (BS) 2010-03-11 WO claimed
WO-2010020432-A2 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2010-02-25 WO claimed
WO-2010020432-A8 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED (BS) 2010-03-11 WO disclosed
WO-2010020432-A2 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2010-02-25 WO disclosed