SCHEMBL29590980

SCHEMBL29590980

O=C(Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 19/20 0.57
▸ BRAF P15056 19/20 0.57
▸ KDM4E B2RXH2 1/20 0.52
▸ GAA P10253 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
SCHEMBL14783381 1.00 RAF1 (0.57) RAF1BRAFKDM4EGAA
SCHEMBL15689264 0.94 RAF1 (0.57) RAF1BRAFKDM4EGAA
SCHEMBL14783093 0.92 RAF1 (0.55) RAF1BRAFKDM4EGAA
SCHEMBL14783483 0.92 RAF1 (0.49) RAF1BRAF
SCHEMBL29590204 0.92 RAF1 (0.49) RAF1BRAF
SCHEMBL14784012 0.91 MAPT (0.52) RAF1BRAFGAA
SCHEMBL29590175 0.91 MAPT (0.52) RAF1BRAFGAA
SCHEMBL15689028 0.90 RAF1 (0.59) RAF1BRAFKDM4EGAA
SCHEMBL14782951 0.90 BRAF (0.59) RAF1BRAFKDM4EGAA
SCHEMBL14783103 0.89 KCNQ3 (0.63) GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403531-A Chemical entities, compositions, and methods as kinase inhibitors 润新生物公司 2022-11-29 — — CN disclosed
CN-108794411-B Certain chemical entities, compositions, and methods 润新生物公司 2022-06-07 — — CN disclosed
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