SCHEMBL28664628

SCHEMBL28664628

O=C(O)N1CCN2Cc3cc(OCCN4CCCCC4)c(Br)c(F)c3OC[C@H]2C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KRAS P01116 15/20 0.46
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL24558476 0.89 KRAS (0.45) KRASMEN1KMT2A
SCHEMBL28676502 0.84 KRAS (0.68) KRAS
SCHEMBL28671279 0.83 KRAS (0.55) KRAS
SCHEMBL28651229 0.81 KRAS (0.56) KRAS
SCHEMBL28656559 0.81 KRAS (0.43) KRAS
SCHEMBL28656532 0.80 KRAS (0.54) KRAS
SCHEMBL28671533 0.79 KRAS (0.53) KRAS
SCHEMBL28654351 0.78 KRAS (0.55) KRAS
SCHEMBL28658835 0.78 KRAS (0.48) KRAS
SCHEMBL28669312 0.77 KRAS (0.46) KRAS

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
CN-113508118-A Fused tricyclic compounds useful as anticancer agents 阿斯利康(瑞典)有限公司 2021-10-15 CN disclosed