SCHEMBL2020576

SCHEMBL2020576

CNC(=O)c1ccc(-c2ccc(Nc3nc(=O)n(O)c4ncccc34)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM1A O60341 1/20 0.48
KLK7 P49862 1/20 0.46
KLK14 Q9P0G3 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KDR P35968 2/20 0.45
MKNK2 Q9HBH9 2/20 0.43
MKNK1 Q9BUB5 1/20 0.43
RIPK1 Q13546 1/20 0.42
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PTK2 Q05397 3/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PYGM P11217 1/20 0.40
MAPT P10636 1/20 0.40
PLK1 P53350 1/20 0.39

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
SCHEMBL2023578 0.88 ABCG2 (0.49) MEN1KMT2AKDRMAPT
SCHEMBL2052134 0.85 BRAF (0.49) PTK2
SCHEMBL2020155 0.84 ABCG2 (0.49) MEN1KMT2AKDM1AMAPT
SCHEMBL2023614 0.82 RIPK1 (0.47) MEN1KMT2ARXFP1RIPK1
SCHEMBL2023148 0.81 MEN1 (0.44) MEN1KMT2A
SCHEMBL2028780 0.81 MEN1 (0.38) MEN1KMT2AKDRMAPT
SCHEMBL2023155 0.81 SYK (0.44) KDM1AKDRPIK3CA
SCHEMBL2026340 0.80 ABCG2 (0.40) PLK1
SCHEMBL2024076 0.80 LIPG (0.41) KDM1A
SCHEMBL2030313 0.79 MAPK8 (0.50) MEN1KMT2A

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-2011075747-A1 THERAPEUTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-06-23 WO disclosed