SCHEMBL2733726

SCHEMBL2733726

C[Si](C)(C)CCOCn1ncc2c(OC3CCCN(C(=O)O)C3)ncnc21

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.42
GPR119 Q8TDV5 1/20 0.40
PIK3R1 P27986 2/20 0.39
PIK3CA P42336 2/20 0.39

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
SCHEMBL17545927 0.87 PIK3CD (0.52) PIK3CDGPR119
SCHEMBL17527355 0.81 BTK (0.46) PIK3CD
SCHEMBL17527353 0.81 BTK (0.46) PIK3CD
SCHEMBL17545937 0.79 PIK3CD (0.42) PIK3CDGPR119
SCHEMBL18419032 0.74 PIK3CD (0.49) PIK3CDPIK3CA
SCHEMBL17527387 0.74 PIK3CD (0.49) PIK3CDPIK3CA
SCHEMBL17545942 0.73 PIK3CD (0.46) PIK3CD
SCHEMBL27229000 0.73 HMOX1 (0.36) PIK3CDPIK3R1PIK3CA
SCHEMBL27232412 0.73 HMOX1 (0.36) PIK3CDPIK3R1PIK3CA
SCHEMBL12590749 0.72 PKM (0.36)

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-2632898-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS Biogen Idec MA Inc. (US) 2013-09-04 EP disclosed
WO-2012058645-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2012-05-03 WO disclosed