SCHEMBL15428798

SCHEMBL15428798

CCc1ncnc(-c2ccc(C(=O)N3CCOCC3)c(F)c2)c1C#Cc1ccc(C)nc1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.84
MTOR P42345 20/20 0.84

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
SCHEMBL6892879 0.91 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL12136262 0.89 MTOR (0.72) PIK3CAMTOR
SCHEMBL6891606 0.88 MTOR (1.00) PIK3CAMTOR
SCHEMBL6893647 0.85 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6893093 0.84 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6892508 0.84 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6892048 0.83 PIK3CA (0.88) PIK3CAMTOR
SCHEMBL6894693 0.83 MTOR (1.00) PIK3CAMTOR
SCHEMBL6893505 0.83 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6892908 0.83 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633183-B2 5-alkynyl-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 US disclosed