SCHEMBL30404443

SCHEMBL30404443

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 13/20 0.63
▸ KDR P35968 9/20 0.63
▸ PIK3CD O00329 6/20 0.63
▸ SRC P12931 5/20 0.63
▸ ABL1 P00519 4/20 0.63
▸ PIK3CG P48736 4/20 0.63
▸ EGFR P00533 3/20 0.63
▸ HCK P08631 3/20 0.63
▸ PIK3CA P42336 3/20 0.63
▸ PIK3CB P42338 3/20 0.63
▸ MTOR P42345 3/20 0.63
▸ EPHB4 P54760 3/20 0.63
▸ PRKDC P78527 3/20 0.63
▸ TGFBR1 P36897 2/20 0.63
▸ BMPR1B O00238 1/20 0.63
▸ PLK4 O00444 1/20 0.63
▸ PIK3C2B O00750 1/20 0.63
▸ CASK O14936 1/20 0.63
▸ GAK O14976 1/20 0.63
▸ EPHB6 O15197 1/20 0.63

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
SCHEMBL21528193 1.00 RET (0.63) RETKDRPIK3CDSRCABL1
Trifluoroacetic Acid SCHEMBL21528199 0.92 RET (0.55) RETKDRPIK3CDSRCABL1
Trifluoroacetic Acid SCHEMBL29669754 0.92 RET (0.55) RETKDRPIK3CDSRCABL1
SCHEMBL20552974 0.92 RET (0.57) RETKDRPIK3CDSRCABL1
SCHEMBL30405191 0.92 RET (0.57) RETKDRPIK3CDSRCABL1
SCHEMBL26064027 0.89 RET (0.56) RETKDRPIK3CDSRCABL1
SCHEMBL20552898 0.86 RET (0.57) RETKDRPIK3CDSRCABL1
SCHEMBL28357401 0.86 RET (0.57) RETKDRPIK3CDSRCABL1
SCHEMBL12422357 0.85 RET (0.65) RETKDRPIK3CDSRCABL1
Trifluoroacetic Acid SCHEMBL21528139 0.85 RET (0.54) RETKDRPIK3CDSRCABL1

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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