SCHEMBL30405924

SCHEMBL30405924

CCCCOC(=O)NCCCCn1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 18/20 0.52
▸ KDR P35968 13/20 0.52
▸ PIK3CD O00329 2/20 0.52
▸ TGFBR1 P36897 2/20 0.52
▸ BMPR1B O00238 1/20 0.52
▸ PLK4 O00444 1/20 0.52
▸ PIK3C2B O00750 1/20 0.52
▸ CASK O14936 1/20 0.52
▸ GAK O14976 1/20 0.52
▸ EPHB6 O15197 1/20 0.52
▸ DAPK3 O43293 1/20 0.52
▸ MAP3K7 O43318 1/20 0.52
▸ RIPK2 O43353 1/20 0.52
▸ PIP5K1C O60331 1/20 0.52
▸ JAK2 O60674 1/20 0.52
▸ BRD4 O60885 1/20 0.52
▸ RPS6KA5 O75582 1/20 0.52
▸ RPS6KA4 O75676 1/20 0.52
▸ STK16 O75716 1/20 0.52
▸ PIK3C2G O75747 1/20 0.52

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
SCHEMBL29669798 0.88 RET (0.53) RETKDRPIK3CDTGFBR1BMPR1B
SCHEMBL23158015 0.88 RET (0.53) RETKDRPIK3CDTGFBR1BMPR1B
SCHEMBL20552898 0.87 RET (0.57) RETKDRPIK3CDTGFBR1BMPR1B
SCHEMBL23251525 0.86 RET (0.50) RETKDRPIK3CDTGFBR1BMPR1B
SCHEMBL24519415 0.86 RET (0.51) RETKDRPIK3CDTGFBR1BMPR1B
SCHEMBL30405204 0.85 RET (0.51) RETKDRABL1HCKFGFR1
SCHEMBL28357401 0.85 RET (0.57) RETKDRPIK3CDTGFBR1BMPR1B
SCHEMBL23251753 0.85 RET (0.50) RETKDRPIK3CDTGFBR1BMPR1B
SCHEMBL19299725 0.84 RET (0.54) RETKDRPIK3CDTGFBR1BMPR1B
SCHEMBL23158181 0.82 RET (0.43) RETKDRPIK3CDTGFBR1BMPR1B

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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