SCHEMBL30405239

SCHEMBL30405239

CCCCC(CCCC)(CCCC)[SiH](C)Oc1ccc2[nH]c(-c3nn(Cc4ccc5c(c4)CCN(C(=O)OC(C)(C)C)C5)c4ncnc(N)c34)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 4/20 0.40
▸ RET P07949 9/20 0.38
▸ KDR P35968 6/20 0.36
▸ BMPR1B O00238 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ PIK3C2B O00750 1/20 0.34
▸ CASK O14936 1/20 0.34
▸ GAK O14976 1/20 0.34
▸ EPHB6 O15197 1/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ MAP3K7 O43318 1/20 0.34
▸ RIPK2 O43353 1/20 0.34
▸ PIP5K1C O60331 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ RPS6KA5 O75582 1/20 0.34
▸ RPS6KA4 O75676 1/20 0.34
▸ STK16 O75716 1/20 0.34
▸ PIK3C2G O75747 1/20 0.34

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
SCHEMBL30405323 0.94 RET (0.39) TGFBR1RETKDRBMPR1BPIK3CD
SCHEMBL20552910 0.88 TGFBR1 (0.43) TGFBR1RETKDRBMPR1BPIK3CD
SCHEMBL31046963 0.88 TGFBR1 (0.43) TGFBR1RETKDRBMPR1BPIK3CD
SCHEMBL30030449 0.88 TGFBR1 (0.43) TGFBR1RETKDRBMPR1BPIK3CD
SCHEMBL30029909 0.86 RET (0.48) TGFBR1RETKDRBMPR1BPIK3CD
SCHEMBL31046955 0.86 RET (0.48) TGFBR1RETKDRBMPR1BPIK3CD
SCHEMBL20553303 0.86 RET (0.48) TGFBR1RETKDRBMPR1BPIK3CD
SCHEMBL30405221 0.82 RET (0.46) TGFBR1RETKDRBMPR1BPIK3CD
SCHEMBL23150437 0.76 RET (0.50) TGFBR1RETKDRBMPR1BPIK3CD
SCHEMBL20552990 0.75 ESR2 (0.48) TGFBR1PIK3CDMAP4K4ABL1EGFR

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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