SCHEMBL30404968

SCHEMBL30404968

Nc1ncnc2c1c(-c1ccc3ocnc3c1)nn2-c1cc(N2CCNCC2)ncn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 12/20 0.40
▸ PIK3CD O00329 11/20 0.40
▸ PIK3CA P42336 11/20 0.40
▸ PIK3CB P42338 11/20 0.40
▸ PIK3CG P48736 11/20 0.40
▸ RICTOR Q6R327 1/20 0.40
▸ RPTOR Q8N122 1/20 0.40
▸ PIK3C3 Q8NEB9 1/20 0.40
▸ MAPKAP1 Q9BPZ7 1/20 0.40
▸ MLST8 Q9BVC4 1/20 0.40
▸ DDR1 Q08345 2/20 0.39
▸ BMPR1B O00238 1/20 0.39
▸ RIPK2 O43353 1/20 0.39
▸ STK16 O75716 1/20 0.39
▸ STK10 O94804 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ RET P07949 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ PRKCA P17252 1/20 0.39

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
SCHEMBL23157818 0.86 MTOR (0.57) MTORPIK3CDPIK3CAPIK3CBPIK3CG
Trifluoroacetic Acid SCHEMBL20553346 0.79 MTOR (0.50) MTORPIK3CDPIK3CAPIK3CBPIK3CG
Trifluoroacetic Acid SCHEMBL29669743 0.79 MTOR (0.50) MTORPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19299699 0.75 PIK3CD (0.62) MTORPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL23150477 0.73 MTOR (0.54) MTORPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19294557 0.72 MTOR (0.71) MTORPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30405300 0.71 PIK3CD (0.56) MTORPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL24535571 0.69 MTOR (0.65) MTORPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30353302 0.69 MTOR (0.54) MTORPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20553311 0.69 PIK3CA (0.54) MTORPIK3CDPIK3CAPIK3CBPIK3CG

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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