SCHEMBL15718939

SCHEMBL15718939

CCn1c(CC2CN(C(=O)O)C2)nc2c(NC3CCN(C(=O)C4CC4)C3)ncnc21

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 20/20 0.66
▸ PIK3R1 P27986 20/20 0.66
▸ PIK3CA P42336 3/20 0.57

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
SCHEMBL15719186 0.93 PIK3CD (0.70) PIK3CDPIK3R1PIK3CA
SCHEMBL15731703 0.93 PIK3CD (0.70) PIK3CDPIK3R1PIK3CA
SCHEMBL15719714 0.90 PIK3CD (0.66) PIK3CDPIK3R1PIK3CA
SCHEMBL17925301 0.90 PIK3CD (0.66) PIK3CDPIK3R1PIK3CA
SCHEMBL15731749 0.89 PIK3CD (0.63) PIK3CDPIK3R1PIK3CA
SCHEMBL17925240 0.89 PIK3CD (0.63) PIK3CDPIK3R1PIK3CA
SCHEMBL15721090 0.89 PIK3CD (0.61) PIK3CDPIK3R1PIK3CA
SCHEMBL15731748 0.89 PIK3CD (0.61) PIK3CDPIK3R1PIK3CA
SCHEMBL15718962 0.88 PIK3CD (0.74) PIK3CDPIK3R1PIK3CA
SCHEMBL15731480 0.88 PIK3CD (0.74) PIK3CDPIK3R1PIK3CA

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-2920172-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA Merck Sharp & Dohme Corp. (US) 2015-09-23 — — EP disclosed
WO-2014075393-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2014-05-22 — — WO disclosed
Send feedback