SCHEMBL29590318

SCHEMBL29590318

O=C(Nc1cc(F)c(F)c(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1F)c1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.56
RAF1 P04049 17/20 0.52
BRAF P15056 17/20 0.52
WDR5 P61964 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
SCHEMBL14784324 1.00 KDM4E (0.56) KDM4EGAARAF1BRAFWDR5
SCHEMBL14783117 0.91 HDAC3 (0.50) KDM4EGAARAF1BRAF
SCHEMBL29590152 0.91 HDAC3 (0.50) KDM4EGAARAF1BRAF
SCHEMBL29590150 0.89 IDH2 (0.49) KDM4EGAARAF1BRAF
SCHEMBL14783124 0.89 IDH2 (0.49) KDM4EGAARAF1BRAF
SCHEMBL14783093 0.89 RAF1 (0.55) KDM4EGAARAF1BRAF
SCHEMBL14783841 0.87 BRAF (0.44) KDM4EGAARAF1BRAF
SCHEMBL29590197 0.87 BRAF (0.44) KDM4EGAARAF1BRAF
SCHEMBL15689264 0.86 RAF1 (0.57) KDM4EGAARAF1BRAF
SCHEMBL16507059 0.86 KDM4E (0.54) KDM4EGAARAF1BRAF

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