SCHEMBL5606945

SCHEMBL5606945

O=c1c2ccccc2nc(CCNc2ncnc3[nH]cnc23)n1-c1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.44
USP2 O75604 1/20 0.43
CCKBR P32239 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PDE10A Q9Y233 1/20 0.41
MAPT P10636 1/20 0.41
PIK3CG P48736 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL5607711 0.93 PIK3CD (0.46) PIK3CDSMN1; SMN2PIK3CGPIK3C3
SCHEMBL5606274 0.93 PIK3CD (0.44) PIK3CDSMN1; SMN2USP2CCKBRALDH1A1
SCHEMBL5607475 0.91 ALDH1A1 (0.50) PIK3CDSMN1; SMN2USP2ALDH1A1HSD17B10
SCHEMBL5606928 0.90 PIK3CD (0.45) PIK3CDSMN1; SMN2USP2CCKBRALDH1A1
SCHEMBL2323929 0.90 PIK3CD (0.51) PIK3CDALDH1A1HSD17B10RXFP1PIK3CG
SCHEMBL5607437 0.87 PIK3CD (0.54) PIK3CDPIK3CGPIK3C3
SCHEMBL5607462 0.87 PDE7A (0.42) PIK3CDSMN1; SMN2ALDH1A1HSD17B10RXFP1
SCHEMBL5607707 0.86 PIK3CD (0.51) PIK3CDPIK3CGPIK3C3
SCHEMBL5607282 0.86 PIK3CD (0.41) PIK3CDSMN1; SMN2ALDH1A1HSD17B10RXFP1
SCHEMBL5608379 0.86 ALDH1A1 (0.48) PIK3CDSMN1; SMN2USP2ALDH1A1HSD17B10

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