SCHEMBL25495279

SCHEMBL25495279

CCCN(CCC)c1ccc2nccc(Nc3ccc(-c4nc5cc(NC)ccc5[nH]4)cc3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 17/20 0.50
▸ MAPKAPK2 P49137 3/20 0.41
▸ PARP1 P09874 2/20 0.39
▸ MET P08581 1/20 0.38

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 0.80 KDR (0.44) KDRMAPKAPK2MET
SCHEMBL23999898 0.80 KDR (0.56) KDRMAPKAPK2MET
SCHEMBL30180457 0.80 KDR (0.56) KDRMAPKAPK2MET
SCHEMBL30180450 0.78 KDR (0.53) KDRMAPKAPK2PARP1MET
SCHEMBL23999675 0.78 KDR (0.53) KDRMAPKAPK2PARP1MET
SCHEMBL18617616 0.74 KDR (0.75) KDRMET
SCHEMBL26325453 0.74 KDR (0.62) KDRMAPKAPK2MET
SCHEMBL23999699 0.74 KDR (0.63) KDRMAPKAPK2MET
SCHEMBL30180360 0.74 KDR (0.63) KDRMAPKAPK2MET
SCHEMBL23999511 0.74 KDR (0.63) KDRMAPKAPK2MET

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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