SCHEMBL30729905

SCHEMBL30729905

CCCCOC(=O)Nc1ccc(Oc2ccnc(NC3CCC3)c2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 5/20 0.48
▸ KDR P35968 14/20 0.47
▸ BRAF P15056 10/20 0.47
▸ NOS1 P29475 1/20 0.44
▸ NOS2 P35228 1/20 0.44

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
SCHEMBL27305737 0.84 KDR (0.54) MAPK14KDRBRAF
SCHEMBL27096971 0.83 MAPK14 (0.52) MAPK14KDRBRAF
SCHEMBL30729926 0.81 MAPK14 (0.46) MAPK14KDRBRAF
SCHEMBL29834742 0.76 KDR (0.51) MAPK14KDRBRAF
SCHEMBL27299410 0.75 KDM4E (0.50) MAPK14KDRBRAFNOS1NOS2
SCHEMBL30729921 0.74 MAPK14 (0.40) MAPK14KDRBRAF
SCHEMBL30729895 0.74 KDR (0.40) MAPK14KDRBRAF
SCHEMBL27311398 0.73 KDR (0.66) KDRBRAF
SCHEMBL27097019 0.72 KDM4E (0.44) MAPK14KDRBRAFNOS1NOS2
SCHEMBL27096992 0.72 KDR (0.64) KDRBRAF

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
WO-2024026056-A2 HETEROARYL COMPOUNDS AS EGFR INHIBITORS AND THEIR USES ACCUTAR BIOTECHNOLOGY, INC. (US) 2024-02-01 — — WO disclosed
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