SCHEMBL5608306

SCHEMBL5608306

Cc1cccc2nc(CCNc3nc(N)nc4[nH]cnc34)n(-c3c(Cl)cccc3Cl)c(=O)c12

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.45
PIK3CD O00329 14/20 0.41
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40
PIK3R1 P27986 4/20 0.36
PIK3CB P42338 4/20 0.36
PIK3CA P42336 1/20 0.36

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
SCHEMBL5607427 0.93 PIK3CD (0.44) PIK3CGPIK3CDPIK3R1PIK3CBPIK3CA
SCHEMBL5607745 0.90 PIK3CD (0.43) PIK3CGPIK3CDPIK3R1PIK3CBPIK3CA
SCHEMBL5606268 0.90 PIK3CG (0.48) PIK3CGPIK3CDKCNJ5KCNJ3PIK3R1
SCHEMBL5607928 0.89 PIK3CG (0.41) PIK3CGPIK3CDPIK3R1PIK3CBPIK3CA
SCHEMBL5607509 0.88 PIK3CD (0.56) PIK3CGPIK3CDPIK3R1PIK3CBPIK3CA
SCHEMBL5607754 0.88 PIK3CD (0.48) PIK3CGPIK3CDPIK3R1PIK3CBPIK3CA
SCHEMBL5607593 0.86 PIK3CD (0.41) PIK3CGPIK3CDPIK3R1PIK3CBPIK3CA
SCHEMBL5606889 0.86 PIK3CD (0.41) PIK3CGPIK3CDPIK3R1PIK3CBPIK3CA
SCHEMBL5606253 0.85 PIK3CD (0.42) PIK3CGPIK3CDPIK3R1PIK3CBPIK3CA
SCHEMBL5606912 0.85 PIK3CD (0.47) PIK3CGPIK3CDPIK3R1PIK3CBPIK3CA

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-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