SCHEMBL20176889

SCHEMBL20176889

COc1ccc(Cn2ncc3cncc(Br)c32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 10/20 0.47
MCHR1 Q99705 1/20 0.43
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
PKM P14618 1/20 0.39
PKLR P30613 1/20 0.39
BRD4 O60885 1/20 0.39
HSD17B3 P37058 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
CMA1 P23946 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL30469042 0.85 NPBWR1 (0.54) NPBWR1MCHR1PDE1APDE1BPDE1C
SCHEMBL27242636 0.84 NPBWR1 (0.47) NPBWR1MCHR1PDE1APDE1BPDE1C
SCHEMBL21579413 0.81 NPBWR1 (0.44) NPBWR1MCHR1PKMPKLRALDH1A1
SCHEMBL25753127 0.80 NPBWR1 (0.49) NPBWR1MCHR1PDE1APDE1BPDE1C
SCHEMBL30051137 0.80 NPBWR1 (0.46) NPBWR1MCHR1KDM4E
SCHEMBL22139429 0.80 NPBWR1 (0.48) NPBWR1MCHR1PDE1APDE1BPDE1C
SCHEMBL30050755 0.79 PDE8B (0.46) NPBWR1MCHR1ALOX15CYP11B1CYP11B2
SCHEMBL30408409 0.79 NPBWR1 (0.46) NPBWR1MCHR1BRD4ALDH1A1KDM4E
SCHEMBL23938744 0.76 NPBWR1 (0.46) NPBWR1MCHR1PDE1APDE1BPDE1C
SCHEMBL30498344 0.76 NPBWR1 (0.48) NPBWR1MCHR1PDE1APDE1BPDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018092047-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2018-05-24 WO disclosed