SCHEMBL30405221

SCHEMBL30405221

CCCCOC(=O)N1CCc2cc(Cn3nc(-c4cc5cc(O)ccc5[nH]4)c4c(N)ncnc43)ccc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 13/20 0.46
▸ KDR P35968 9/20 0.46
▸ PIK3CD O00329 4/20 0.46
▸ TGFBR1 P36897 2/20 0.46
▸ PIK3CA P42336 2/20 0.46
▸ PIK3CG P48736 2/20 0.46
▸ BMPR1B O00238 1/20 0.46
▸ PLK4 O00444 1/20 0.46
▸ PIK3C2B O00750 1/20 0.46
▸ CASK O14936 1/20 0.46
▸ GAK O14976 1/20 0.46
▸ EPHB6 O15197 1/20 0.46
▸ DAPK3 O43293 1/20 0.46
▸ MAP3K7 O43318 1/20 0.46
▸ RIPK2 O43353 1/20 0.46
▸ PIP5K1C O60331 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ RPS6KA5 O75582 1/20 0.46
▸ RPS6KA4 O75676 1/20 0.46

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
SCHEMBL20553303 0.89 RET (0.48) RETKDRPIK3CDTGFBR1PIK3CA
SCHEMBL31046955 0.89 RET (0.48) RETKDRPIK3CDTGFBR1PIK3CA
SCHEMBL30029909 0.89 RET (0.48) RETKDRPIK3CDTGFBR1PIK3CA
SCHEMBL30405323 0.89 RET (0.39) RETKDRPIK3CDTGFBR1PIK3CA
SCHEMBL23150437 0.88 RET (0.50) RETKDRPIK3CDTGFBR1PIK3CA
SCHEMBL30405239 0.82 TGFBR1 (0.40) RETKDRPIK3CDTGFBR1PIK3CA
SCHEMBL29867706 0.82 PIK3CD (0.39) PIK3CDPIK3CGJAK2EGFRFGFR1
SCHEMBL20552910 0.80 TGFBR1 (0.43) RETKDRPIK3CDTGFBR1PIK3CA
SCHEMBL31046963 0.80 TGFBR1 (0.43) RETKDRPIK3CDTGFBR1PIK3CA
SCHEMBL30030449 0.80 TGFBR1 (0.43) RETKDRPIK3CDTGFBR1PIK3CA

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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