SCHEMBL22650906

SCHEMBL22650906

CC1(C)CN(c2ccc(N)nc2)CCO1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.55
PIK3CA P42336 5/20 0.55
BACE1 P56817 1/20 0.42
MAP3K12 Q12852 1/20 0.40
GAK O14976 1/20 0.40
PIK3R1 P27986 1/20 0.39
LATS1 O95835 1/20 0.39
FFAR2 O15552 5/20 0.38
PRKDC P78527 2/20 0.37
SYK P43405 1/20 0.36
LRRK2 Q5S007 1/20 0.36
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL23504212 0.82 PIK3CA (0.40) MTORPIK3CABACE1PIK3R1
SCHEMBL24746057 0.82 PIK3CA (0.39) MTORPIK3CAMAP3K12PIK3R1FFAR2
SCHEMBL30316438 0.82 PIK3CA (0.39) MTORPIK3CAMAP3K12PIK3R1FFAR2
SCHEMBL23768373 0.81 LATS1 (0.40) MTORPIK3CABACE1MAP3K12GAK
SCHEMBL6624674 0.80 MAPT (0.46) MTORPIK3CABACE1MAP3K12PIK3R1
SCHEMBL23768374 0.78 CDK4 (0.40) MTORPIK3CABACE1LATS1SYK
SCHEMBL21017332 0.78 VNN1 (0.39) MTORPIK3CABACE1MAP3K12LATS1
SCHEMBL27694801 0.77 POLB (0.65) MTORPIK3CABACE1LATS1PRKDC
SCHEMBL521049 0.76 PIK3CA (0.56) MTORPIK3CAPIK3R1
SCHEMBL23109068 0.76 PIK3CA (0.40) MTORPIK3CAPIK3R1

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
WO-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO disclosed