SCHEMBL23999591

SCHEMBL23999591

CCNc1ccc2nccc(Nc3ccc(-c4nc5cc(Nc6ccnc(C)c6)cnc5[nH]4)nc3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 14/20 0.39
▸ RIPK2 O43353 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ MAPKAPK2 P49137 2/20 0.34
▸ GAK O14976 1/20 0.33

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
SCHEMBL23999593 0.92 SLC2A1 (0.37) —
SCHEMBL23999589 0.90 KDR (0.40) KDRRIPK2MAPKAPK2GAK
SCHEMBL23999476 0.86 KDR (0.39) KDRRIPK2EGFRMAPKAPK2GAK
SCHEMBL30180227 0.86 KDR (0.39) KDRRIPK2EGFRMAPKAPK2GAK
SCHEMBL25495797 0.86 KDR (0.37) KDRRIPK2EGFRMAPKAPK2GAK
SCHEMBL23999754 0.85 MAPKAPK2 (0.45) KDRRIPK2MAPKAPK2GAK
SCHEMBL23999592 0.83 KDR (0.39) KDRRIPK2EGFRMAPKAPK2
SCHEMBL30180390 0.83 MAPKAPK2 (0.40) KDRMAPKAPK2
SCHEMBL23999481 0.83 MAPKAPK2 (0.40) KDRMAPKAPK2
SCHEMBL23999749 0.81 SLC2A1 (0.47) MAPKAPK2

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-2021226519-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 — — WO disclosed
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