SCHEMBL23999830

SCHEMBL23999830

CCCN(CCC)c1ccc2nccc(Nc3ccc(-c4nc5cc(Nc6ccnc(C)c6)cnc5[nH]4)cc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 15/20 0.44
▸ MAPKAPK2 P49137 5/20 0.38
▸ MET P08581 2/20 0.34

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
SCHEMBL25495797 0.91 KDR (0.37) KDRMAPKAPK2
SCHEMBL23999610 0.89 KDR (0.47) KDRMAPKAPK2
SCHEMBL30180419 0.89 KDR (0.47) KDRMAPKAPK2
SCHEMBL23999461 0.85 KDR (0.49) KDRMAPKAPK2
SCHEMBL23999406 0.82 MAPKAPK2 (0.52) KDRMAPKAPK2
SCHEMBL23999659 0.82 L3MBTL1 (0.43) KDR
SCHEMBL30180305 0.80 KDR (0.40) KDRMAPKAPK2
SCHEMBL23999478 0.80 KDR (0.40) KDRMAPKAPK2
SCHEMBL23999476 0.80 KDR (0.39) KDRMAPKAPK2
SCHEMBL30180227 0.80 KDR (0.39) KDRMAPKAPK2

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
Send feedback