SCHEMBL15720245

SCHEMBL15720245

CCc1nc2c(NC3CCN(C(=O)O)C3)ncnc2n1CC

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 20/20 0.60
▸ PIK3R1 P27986 20/20 0.60
▸ PIK3CA P42336 3/20 0.51
▸ PDE4A P27815 1/20 0.51
▸ PDE4B Q07343 1/20 0.51
▸ PDE4C Q08493 1/20 0.51
▸ PDE4D Q08499 1/20 0.51

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
SCHEMBL15718962 0.90 PIK3CD (0.74) PIK3CDPIK3R1PIK3CAPDE4APDE4B
SCHEMBL15731480 0.90 PIK3CD (0.74) PIK3CDPIK3R1PIK3CAPDE4APDE4B
SCHEMBL15731479 0.87 ADORA1 (0.55) PIK3CDPIK3R1
SCHEMBL17925217 0.87 ADORA1 (0.55) PIK3CDPIK3R1
SCHEMBL15719998 0.85 PIK3CD (0.57) PIK3CDPIK3R1PIK3CAPDE4APDE4B
SCHEMBL15718939 0.84 PIK3CD (0.66) PIK3CDPIK3R1PIK3CA
SCHEMBL17925202 0.84 PIK3CD (0.85) PIK3CDPIK3R1
SCHEMBL15719368 0.82 PIK3CD (0.71) PIK3CDPIK3R1PIK3CAPDE4APDE4B
SCHEMBL15720929 0.82 PIK3CD (0.48) PIK3CDPIK3R1PIK3CA
SCHEMBL15719088 0.82 PIK3CD (0.68) PIK3CDPIK3R1PIK3CAPDE4APDE4B

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
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