SCHEMBL4789419

SCHEMBL4789419

CCOC(=O)c1cccc(-n2ncc3c(N)nc(C)cc32)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
NPBWR1 P48145 1/20 0.48
MCHR1 Q99705 1/20 0.48
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
TSHR P16473 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ATM Q13315 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
ESRRA P11474 1/20 0.43

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
SCHEMBL304020 0.85 HTT (0.54) HTTNPBWR1MCHR1ALOX15ALDH1A1
SCHEMBL4789418 0.83 HTT (0.49) HTTNPBWR1MCHR1ALOX15ALDH1A1
SCHEMBL8043565 0.76 HTT (0.68) HTTNPBWR1MCHR1ALDH1A1HPGD
SCHEMBL14454774 0.75 NPBWR1 (0.53) HTTNPBWR1MCHR1ALOX15ALDH1A1
SCHEMBL4295664 0.75 KMT2A (0.56) HTTNPBWR1MCHR1ALOX15ALDH1A1
SCHEMBL23187557 0.74 NPBWR1 (0.53) HTTNPBWR1MCHR1ALOX15ALDH1A1
SCHEMBL303719 0.74 TDP1 (0.45) HTTALOX15ALDH1A1HPGDSMN1; SMN2
SCHEMBL8046909 0.74 KMT2A (0.61) HTTNPBWR1MCHR1ALDH1A1HPGD
SCHEMBL1775488 0.73 NR3C1 (0.48) ALDH1A1HPGDKMT2ARAB9AMEN1
SCHEMBL8360532 0.73 SMO (0.54) HTTNPBWR1MCHR1ALDH1A1HPGD

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
EP-1945642-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 2008-07-23 EP disclosed
WO-2007054294-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 2007-05-18 WO disclosed