SCHEMBL30405407

SCHEMBL30405407

Nc1nc2cc(-c3nn(Cc4ccc5c(c4)CCNC5)c4ncnc(N)c34)ccc2o1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 19/20 0.61
▸ HDAC1 Q13547 10/20 0.61
▸ PIK3CD O00329 7/20 0.59
▸ PIK3CA P42336 7/20 0.59
▸ PIK3CG P48736 7/20 0.59
▸ PIK3CB P42338 6/20 0.59
▸ ABL1 P00519 2/20 0.59
▸ PRKDC P78527 4/20 0.58
▸ DDR1 Q08345 3/20 0.58
▸ RICTOR Q6R327 2/20 0.51
▸ RPTOR Q8N122 2/20 0.51
▸ MAPKAP1 Q9BPZ7 2/20 0.51
▸ MLST8 Q9BVC4 2/20 0.51
▸ PIK3C3 Q8NEB9 1/20 0.51
▸ HDAC8 Q9BY41 3/20 0.51
▸ HDAC6 Q9UBN7 3/20 0.51
▸ HDAC3 O15379 2/20 0.51
▸ HDAC2 Q92769 2/20 0.51

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
SCHEMBL30405405 1.00 MTOR (0.61) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL20553616 1.00 MTOR (0.61) MTORHDAC1PIK3CDPIK3CAPIK3CG
Hydrochloric Acid SCHEMBL27225374 0.99 MTOR (0.60) MTORHDAC1PIK3CDPIK3CAPIK3CG
Hydrochloric Acid SCHEMBL29867328 0.99 MTOR (0.60) MTORHDAC1PIK3CDPIK3CAPIK3CG
Trifluoroacetic Acid SCHEMBL29669777 0.93 MTOR (0.59) MTORHDAC1PIK3CDPIK3CAPIK3CG
Trifluoroacetic Acid SCHEMBL20553079 0.93 MTOR (0.59) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL21528205 0.90 MTOR (0.49) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL30405245 0.90 MTOR (0.49) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL24519411 0.85 MTOR (0.60) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL21527979 0.84 MTOR (0.57) MTORHDAC1PIK3CDPIK3CAPIK3CG

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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