SCHEMBL30405677

SCHEMBL30405677

CC(C)(C)OC(=O)N1CCC(Cn2nc(-c3ccc4oc(N)nc4c3)c3c(N)ncnc32)CC1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 2/20 0.71
▸ MTOR P42345 13/20 0.70
▸ HDAC1 Q13547 7/20 0.70
▸ PIK3CD O00329 6/20 0.70
▸ PIK3CG P48736 6/20 0.70
▸ PIK3CA P42336 5/20 0.70
▸ PIK3CB P42338 4/20 0.70
▸ PRKDC P78527 3/20 0.70
▸ DDR1 Q08345 3/20 0.70
▸ HDAC8 Q9BY41 3/20 0.65
▸ HDAC6 Q9UBN7 3/20 0.65
▸ ABL1 P00519 2/20 0.63
▸ PIK3R2 O00459 1/20 0.55
▸ CHEK2 O96017 1/20 0.55
▸ HDAC3 O15379 2/20 0.54
▸ HDAC2 Q92769 2/20 0.54

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
SCHEMBL31046967 1.00 TGFBR1 (0.71) TGFBR1MTORHDAC1PIK3CDPIK3CG
SCHEMBL20552950 1.00 TGFBR1 (0.71) TGFBR1MTORHDAC1PIK3CDPIK3CG
SCHEMBL31046978 0.95 TGFBR1 (0.72) TGFBR1MTORHDAC1PIK3CDPIK3CG
SCHEMBL30405170 0.95 TGFBR1 (0.72) TGFBR1MTORHDAC1PIK3CDPIK3CG
SCHEMBL20553170 0.95 TGFBR1 (0.72) TGFBR1MTORHDAC1PIK3CDPIK3CG
SCHEMBL21528079 0.92 MTOR (0.67) TGFBR1MTORHDAC1PIK3CDPIK3CG
SCHEMBL30029418 0.92 MTOR (0.67) TGFBR1MTORHDAC1PIK3CDPIK3CG
SCHEMBL31046949 0.92 MTOR (0.67) TGFBR1MTORHDAC1PIK3CDPIK3CG
SCHEMBL23150458 0.88 MTOR (0.77) MTORHDAC1PIK3CDPIK3CGPIK3CA
SCHEMBL30405232 0.87 MTOR (0.68) TGFBR1MTORHDAC1PIK3CDPIK3CG

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
EP-4168002-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS Revolution Medicines, Inc. (US) 2023-04-26 — — EP disclosed
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