SCHEMBL23721179

SCHEMBL23721179

C=C/C=C(\C=C(/C)NC(=O)c1cc(-c2cnc3ccccc3c2)ccn1)c1nncn1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ CSNK1G2 P78368 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ MAP4K5 Q9Y4K4 1/20 0.35
▸ DYRK1A Q13627 1/20 0.33
▸ MAP3K5 Q99683 1/20 0.32
▸ EGFR P00533 5/20 0.32
▸ FGFR2 P21802 4/20 0.32
▸ HSP90AA1 P07900 2/20 0.31
▸ PIK3CA P42336 2/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ PDGFRA P16234 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ WDR5 P61964 1/20 0.31

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
SCHEMBL946466 0.72 MAP3K5 (0.51) CBLBMAP4K4CSNK1G2CLK4MKNK2
SCHEMBL945258 0.72 MAP3K5 (0.61) CBLBMAP4K4CSNK1G2CLK4MKNK2
SCHEMBL943672 0.71 MAP3K5 (0.51) MAP3K5
SCHEMBL23720730 0.68 MAP3K5 (0.36) CBLBMAP3K5
SCHEMBL22739188 0.67 HRH4 (0.38) CBLBPDGFRB
SCHEMBL23721070 0.67 MAP3K5 (0.35) MAP3K5
SCHEMBL945284 0.66 CNR1 (0.49) CBLBMAP4K4CSNK1G2CLK4MKNK2
SCHEMBL22739206 0.66 MAP3K5 (0.48) MAP3K5
SCHEMBL943940 0.65 MAP3K5 (0.45) MAP4K4CSNK1G2CLK4MKNK2MAP4K5
SCHEMBL23721197 0.64 CBLB (0.31) CBLBMAP3K5

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
EP-3858824-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2021-08-04 — — EP disclosed
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