SCHEMBL6896677

SCHEMBL6896677

CCc1ncnc(N2CCCCC2)c1C#Cc1ccc(NC)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 1.00
MTOR P42345 19/20 1.00

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
SCHEMBL6896440 0.87 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6896911 0.86 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL10160331 0.83 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL10196544 0.78 PIK3CA (0.64) PIK3CAMTOR
SCHEMBL503388 0.77 PIK3CA (0.63) PIK3CAMTOR
SCHEMBL6896685 0.77 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL16573531 0.74 PIK3CA (0.78) PIK3CAMTOR
SCHEMBL19241754 0.74 PIK3CA (0.74) PIK3CAMTOR
SCHEMBL6894302 0.74 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6896689 0.74 PIK3CA (1.00) PIK3CAMTOR

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-2528910-B1 5-Alkynyl pyrimidines ahd their use as kinase inhibitors. BOEHRINGER INGELHEIM INT (DE) 2015-03-18 EP disclosed
WO-2011092197-A1 5-ALKYNYL PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed