SCHEMBL25495797

SCHEMBL25495797

CCCN(CCC)c1ccc2nccc(Nc3ccc(-c4nc5cc(Nc6ccnc(C)c6)cnc5[nH]4)nc3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 14/20 0.37
▸ RIPK2 O43353 1/20 0.33
▸ GAK O14976 1/20 0.33
▸ MAPKAPK2 P49137 2/20 0.32
▸ EGFR P00533 2/20 0.32

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
SCHEMBL23999830 0.91 KDR (0.44) KDRMAPKAPK2
SCHEMBL30180227 0.89 KDR (0.39) KDRRIPK2GAKMAPKAPK2EGFR
SCHEMBL23999476 0.89 KDR (0.39) KDRRIPK2GAKMAPKAPK2EGFR
SCHEMBL23999591 0.86 KDR (0.39) KDRRIPK2GAKMAPKAPK2EGFR
SCHEMBL23999589 0.85 KDR (0.40) KDRRIPK2GAKMAPKAPK2
SCHEMBL23999754 0.82 MAPKAPK2 (0.45) KDRRIPK2GAKMAPKAPK2
SCHEMBL23999895 0.82 KDR (0.41) KDRRIPK2MAPKAPK2EGFR
SCHEMBL25495945 0.81 EGFR (0.33) KDREGFR
SCHEMBL23999676 0.81 KDR (0.42) KDRRIPK2GAKMAPKAPK2
SCHEMBL30180259 0.81 KDR (0.42) KDRRIPK2GAKMAPKAPK2

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-2023081854-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 — — WO disclosed
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