SCHEMBL30363477

SCHEMBL30363477

Nc1nc2cc(-c3nn(Cc4ncc5c(n4)CCNC5)c4ncnc(N)c34)ccc2o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 20/20 0.57
▸ PIK3CD O00329 7/20 0.57
▸ PIK3CG P48736 7/20 0.57
▸ PIK3CA P42336 6/20 0.57
▸ PIK3CB P42338 5/20 0.57
▸ ABL1 P00519 2/20 0.57
▸ PRKDC P78527 3/20 0.56
▸ DDR1 Q08345 3/20 0.56
▸ HDAC1 Q13547 10/20 0.53
▸ RICTOR Q6R327 1/20 0.50
▸ RPTOR Q8N122 1/20 0.50
▸ PIK3C3 Q8NEB9 1/20 0.50
▸ MAPKAP1 Q9BPZ7 1/20 0.50
▸ MLST8 Q9BVC4 1/20 0.50
▸ HDAC8 Q9BY41 3/20 0.49
▸ HDAC6 Q9UBN7 3/20 0.49
▸ HDAC3 O15379 2/20 0.49
▸ HDAC2 Q92769 2/20 0.49
▸ PIK3R2 O00459 1/20 0.45
▸ CHEK2 O96017 1/20 0.45

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
SCHEMBL21527979 1.00 MTOR (0.57) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL25678245 0.89 MTOR (0.62) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL20553616 0.84 MTOR (0.61) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL30405407 0.84 MTOR (0.61) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL30405405 0.84 MTOR (0.61) MTORPIK3CDPIK3CGPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL27225374 0.83 MTOR (0.60) MTORPIK3CDPIK3CGPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL29867328 0.83 MTOR (0.60) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL21527989 0.79 MTOR (0.51) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL30805610 0.79 MTOR (0.51) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL23252016 0.78 MTOR (0.49) MTORPIK3CDPIK3CGPIK3CAPIK3CB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3788050-B1 C26-LINKED RAPAMYCIN ANALOGS AS MTOR INHIBITORS REVOLUTION MEDICINES INC (US) 2024-08-28 — — EP disclosed
EP-4234031-A2 C40-, C28-, AND C-32-LINKED RAPAMYCIN ANALOGS AS MTOR INHIBITORS Revolution Medicines, Inc. (US) 2023-08-30 — — EP disclosed
EP-4168002-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS Revolution Medicines, Inc. (US) 2023-04-26 — — EP disclosed
EP-3788049-B1 C40-, C28-, AND C-32-LINKED RAPAMYCIN ANALOGS AS MTOR INHIBITORS REVOLUTION MEDICINES INC (US) 2023-03-29 — — EP disclosed
Send feedback