SCHEMBL2435970

SCHEMBL2435970

Cc1c(N2CCNCC2)sc2nc(-c3c(F)ccc4[nH]ccc34)nc(N3CCOCC3)c12

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.51
CYP3A4 P08684 4/20 0.49
PIK3CA P42336 7/20 0.49
PIK3R1 P27986 4/20 0.49
PIK3CB P42338 3/20 0.49
PIK3CG P48736 2/20 0.45
MTOR P42345 4/20 0.40
PRKDC P78527 3/20 0.40
PRKCI P41743 2/20 0.36
MAPT P10636 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
SCHEMBL3610045 0.78 PIK3CD (0.63) PIK3CDCYP3A4PIK3CAPIK3R1PIK3CB
SCHEMBL1194318 0.77 PIK3CD (0.75) PIK3CDCYP3A4PIK3CAPIK3R1PIK3CB
SCHEMBL2463489 0.75 PIK3CD (0.79) PIK3CDCYP3A4PIK3CAPIK3R1PIK3CB
SCHEMBL4069888 0.72 HTR2C (0.51) MAPT
SCHEMBL1195266 0.72 PIK3CD (0.68) PIK3CDCYP3A4PIK3CAPIK3R1PIK3CB
SCHEMBL1309842 0.72 PIK3CD (0.59) PIK3CDCYP3A4PIK3CAPIK3R1PIK3CB
SCHEMBL30725653 0.72 PIK3CD (0.62) PIK3CDCYP3A4PIK3CAPIK3R1PIK3CB
SCHEMBL13641103 0.71 PIK3CD (0.56) PIK3CDCYP3A4PIK3CAPIK3R1PIK3CB
SCHEMBL13983595 0.71 PIK3CD (0.62) PIK3CDCYP3A4PIK3CAPIK3R1PIK3CB
SCHEMBL13640270 0.69 PIK3CD (0.82) PIK3CDCYP3A4PIK3CAPIK3R1PIK3CB

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-2365810-A2 PHOSPHATIDYLINOSITOL-3-KINASE P110 DELTA-TARGETED DRUGS IN THE TREATMENT OF CNS DISORDERS The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2011-09-21 EP disclosed
WO-2010065923-A2 PHOSPHATIDYLINOSITOL-3-KINASE P110 DELTA-TARGETED DRUGS IN THE TREATMENT OF CNS DISORDERS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-06-10 WO disclosed