SCHEMBL17415488

SCHEMBL17415488

COc1ccc(-c2ccc3c(N4C[C@@H](C)O[C@@H](C)C4)nc(N4[C@@H]5CC[C@H]4COC5)nc3n2)cc1C

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.79
KCNH2 Q12809 2/20 0.57
PIK3CD O00329 1/20 0.57
PIK3CA P42336 1/20 0.57
RICTOR Q6R327 1/20 0.57
RPTOR Q8N122 1/20 0.57
MAPKAP1 Q9BPZ7 1/20 0.57
MLST8 Q9BVC4 1/20 0.57

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
SCHEMBL17354044 0.89 MTOR (1.00) MTORKCNH2PIK3CDPIK3CARICTOR
SCHEMBL24044692 0.89 MTOR (1.00) MTORKCNH2PIK3CDPIK3CARICTOR
SCHEMBL16023978 0.89 MTOR (1.00) MTORKCNH2PIK3CDPIK3CARICTOR
SCHEMBL16023975 0.82 MTOR (1.00) MTORKCNH2PIK3CDPIK3CARICTOR
SCHEMBL16023988 0.80 MTOR (1.00) MTORKCNH2PIK3CDPIK3CARICTOR
SCHEMBL24044688 0.79 MTOR (0.80) MTORKCNH2PIK3CDPIK3CARICTOR
SCHEMBL17354034 0.78 MTOR (0.72) MTOR
SCHEMBL24044822 0.78 MTOR (0.89) MTORKCNH2PIK3CDPIK3CARPTOR
SCHEMBL16023990 0.78 MTOR (0.89) MTORKCNH2PIK3CDPIK3CARPTOR
SCHEMBL17353998 0.77 MTOR (1.00) MTORKCNH2PIK3CARICTORRPTOR

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-2966079-B1 PYRIDOPYRIMIDINE OR PYRIMIDOPYRIMIDINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2021-11-24 EP disclosed
EP-2966079-A1 PYRIDOPYRIMIDINE OR PYRIMIDOPYRIMIDINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2016-01-13 EP disclosed