SCHEMBL3722288

SCHEMBL3722288

C=CCc1cnc(-c2ccc(N)cc2)nc1N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.50
MTOR P42345 14/20 0.49
PIK3CA P42336 8/20 0.49
PIK3R1 P27986 2/20 0.49
TRPM8 Q7Z2W7 1/20 0.45
PIK3CG P48736 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3721187 0.78 PIK3CD (0.56) PIK3CDMTORPIK3CAPIK3R1TRPM8
SCHEMBL13828577 0.78 PIK3CD (0.56) PIK3CDMTORPIK3CAPIK3R1TRPM8
SCHEMBL3728432 0.76 MTOR (0.70) PIK3CDMTORPIK3CAPIK3CG
SCHEMBL2148489 0.75 MTOR (0.66) PIK3CDMTORPIK3CAPIK3R1TRPM8
SCHEMBL2148705 0.75 TRPM8 (0.77) MTORTRPM8
SCHEMBL3721578 0.75 TRPM8 (0.59) PIK3CDMTORPIK3CAPIK3R1TRPM8
SCHEMBL2148594 0.75 MTOR (0.65) PIK3CDMTORPIK3CAPIK3R1TRPM8
SCHEMBL16912796 0.73 PIK3CD (0.63) PIK3CDMTORPIK3CAPIK3R1PIK3CG
SCHEMBL3730126 0.73 PIK3CD (0.51) PIK3CDMTORPIK3CAPIK3R1TRPM8
SCHEMBL18156584 0.73 PIK3CD (0.51) PIK3CDMTORPIK3CAPIK3R1TRPM8

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
WO-2010120994-A2 UREIDOARYL-AND CARBAMOYLARYL-MORPHOLINO- PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH LLC (US) 2010-10-21 WO claimed
WO-2010120994-A2 UREIDOARYL-AND CARBAMOYLARYL-MORPHOLINO- PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH LLC (US) 2010-10-21 WO disclosed