SCHEMBL5607475

SCHEMBL5607475

O=c1c2ccccc2nc(CCNc2ncnc3[nH]cnc23)n1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MAPT P10636 2/20 0.49
PIK3CD O00329 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ATM Q13315 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 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
SCHEMBL5608379 0.94 ALDH1A1 (0.48) ALDH1A1HSD17B10RXFP1MAPTPIK3CD
SCHEMBL5606945 0.91 PIK3CD (0.52) ALDH1A1HSD17B10RXFP1MAPTPIK3CD
SCHEMBL5606274 0.91 PIK3CD (0.44) ALDH1A1HSD17B10RXFP1MAPTPIK3CD
SCHEMBL6273888 0.90 MAPT (0.60) ALDH1A1HSD17B10RXFP1MAPTPIK3CD
SCHEMBL2432095 0.89 PIK3CD (0.41) ALDH1A1HSD17B10RXFP1MAPTPIK3CD
SCHEMBL2323929 0.89 PIK3CD (0.51) ALDH1A1HSD17B10RXFP1PIK3CDHTT
SCHEMBL5607282 0.89 PIK3CD (0.41) ALDH1A1HSD17B10RXFP1MAPTPIK3CD
SCHEMBL5607462 0.88 PDE7A (0.42) ALDH1A1HSD17B10RXFP1MAPTPIK3CD
SCHEMBL14993340 0.87 PIK3CD (0.51) PIK3CD
SCHEMBL5606978 0.87 PIK3CG (0.51) PIK3CD

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
EP-1750715-A1 METHODS FOR TREATING MAST CELL DISORDERS ICOS CORPORATION (US) 2007-02-14 EP claimed
WO-2005120511-A1 METHODS FOR TREATING MAST CELL DISORDERS ICOS CORPORATION (US) 2005-12-22 WO claimed
EP-1750715-A1 METHODS FOR TREATING MAST CELL DISORDERS ICOS CORPORATION (US) 2007-02-14 EP disclosed
WO-2005120511-A1 METHODS FOR TREATING MAST CELL DISORDERS ICOS CORPORATION (US) 2005-12-22 WO disclosed