SCHEMBL30729895

SCHEMBL30729895

CCCCOC(=O)Nc1ccc(Oc2ccnc(N3CCC(F)(F)C3)c2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 4/20 0.40
▸ BRAF P15056 1/20 0.40
▸ CACNA1H O95180 5/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPK14 Q16539 6/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ EPHB6 O15197 1/20 0.36
▸ RIPK2 O43353 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ LYN P07948 1/20 0.36

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
SCHEMBL30729921 0.85 MAPK14 (0.40) KDRBRAFALDH1A1MAPK14SMN1; SMN2
SCHEMBL27309768 0.85 KDR (0.43) KDRBRAFCACNA1HMAPK14ABL1
SCHEMBL27096935 0.85 KDR (0.45) KDRBRAFCACNA1HMAPK14EPHB6
SCHEMBL30729926 0.79 MAPK14 (0.46) KDRBRAFALDH1A1MAPK14NPC1
SCHEMBL27096813 0.78 MAPK14 (0.41) KDRBRAFMAPK14EPHB6RIPK2
SCHEMBL27309934 0.78 KDR (0.41) KDRBRAFMAPK14EPHB6RIPK2
SCHEMBL30729905 0.74 MAPK14 (0.48) KDRBRAFMAPK14
SCHEMBL27096991 0.73 LRRK2 (0.39) KDRBRAFCACNA1H
SCHEMBL27309800 0.71 MAPK14 (0.42) KDRBRAFMAPK14ABL1MAPK13
SCHEMBL29834687 0.71 MAPK14 (0.44) KDRBRAFMAPK14NFKB1NFKB2

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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