SCHEMBL6263777

SCHEMBL6263777

Cc1ccc(-n2ncc3c(N)ncnc32)c(C)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.70
XDH P47989 1/20 0.66
HTT P42858 6/20 0.64
LMNA P02545 6/20 0.64
KDM4E B2RXH2 3/20 0.64
NPC1 O15118 2/20 0.64
PIP4K2A P48426 2/20 0.64
PKM P14618 1/20 0.64
NPSR1 Q6W5P4 2/20 0.64
BLM P54132 1/20 0.64
HSD17B10 Q99714 1/20 0.64
MAPT P10636 5/20 0.60
TP53 P04637 3/20 0.60
HPGD P15428 4/20 0.59
ALDH1A1 P00352 4/20 0.59
ALOX15 P16050 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
GAA P10253 1/20 0.58
NTSR1 P30989 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL13790393 0.78 NPC1 (1.00) RAB9AXDHHTTLMNAKDM4E
SCHEMBL29306049 0.77 RAB9A (0.98) RAB9AHTTLMNAKDM4ENPC1
SCHEMBL27822388 0.77 NPC1 (0.74) RAB9AXDHHTTLMNAKDM4E
SCHEMBL6271125 0.74 MAPT (0.82) RAB9ALMNAKDM4EPIP4K2AMAPT
SCHEMBL26781491 0.74 HPGD (1.00) RAB9ALMNAKDM4ENPC1PIP4K2A
SCHEMBL6265665 0.74 RAB9A (0.54) RAB9AHTTLMNAKDM4ENPC1
SCHEMBL26781483 0.74 TP53 (0.72) RAB9AHTTLMNAKDM4ENPC1
SCHEMBL31615171 0.74 HPGD (0.82) RAB9ALMNAKDM4ENPC1PIP4K2A
SCHEMBL6267014 0.73 KDM4E (0.71) RAB9ALMNAKDM4EPIP4K2AMAPT
SCHEMBL6266576 0.73 KDM4E (0.77) RAB9AHTTLMNAKDM4ENPC1

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-2005047288-A1 PYRAZOLOPYRIMIDINES AS ANTI - HEPATITS C AGENTS ARROW THERAPEUTICS LIMITED (GB) 2005-05-26 WO claimed
WO-2005047288-A1 PYRAZOLOPYRIMIDINES AS ANTI - HEPATITS C AGENTS ARROW THERAPEUTICS LIMITED (GB) 2005-05-26 WO disclosed