SCHEMBL30405342

SCHEMBL30405342

NCCS(=O)(=O)N1CCc2cc(Cn3nc(-c4ccc5ocnc5c4)c4c(N)ncnc43)ccc2C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 11/20 0.43
▸ HDAC1 Q13547 4/20 0.43
▸ PIK3CG P48736 8/20 0.41
▸ PIK3CD O00329 7/20 0.41
▸ PIK3CA P42336 7/20 0.41
▸ PIK3CB P42338 6/20 0.41
▸ PRKDC P78527 5/20 0.41
▸ ABL1 P00519 3/20 0.41
▸ EGFR P00533 1/20 0.41
▸ HCK P08631 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ EPHB4 P54760 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ DDR1 Q08345 3/20 0.40
▸ BTK Q06187 3/20 0.39
▸ TGFBR1 P36897 4/20 0.38

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
SCHEMBL21528183 0.89 MTOR (0.56) MTORHDAC1PIK3CGPIK3CDPIK3CA
SCHEMBL30578964 0.89 MTOR (0.56) MTORHDAC1PIK3CGPIK3CDPIK3CA
SCHEMBL25678259 0.83 MTOR (0.55) MTORHDAC1PIK3CGPIK3CDPIK3CA
SCHEMBL21528092 0.80 MTOR (0.57) MTORHDAC1PIK3CGPIK3CDPIK3CA
SCHEMBL28517565 0.80 MTOR (0.55) MTORHDAC1PIK3CGPIK3CDPIK3CA
SCHEMBL30405300 0.77 PIK3CD (0.56) MTORHDAC1PIK3CGPIK3CDPIK3CA
SCHEMBL23251827 0.77 MTOR (0.51) MTORHDAC1PIK3CGPIK3CDPIK3CA
SCHEMBL29669781 0.76 MTOR (0.53) MTORHDAC1PIK3CGPIK3CDPIK3CA
SCHEMBL23251647 0.76 MTOR (0.53) MTORHDAC1PIK3CGPIK3CDPIK3CA
SCHEMBL25903766 0.74 MTOR (0.41) MTORHDAC1PIK3CGPIK3CDPIK3CA

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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