SCHEMBL21135829

SCHEMBL21135829

C/C=N/Nc1nc(N2CCOCC2)c2cc(C(=O)NC3COC3)sc2n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIKFYVE Q9Y2I7 8/20 0.48
MTOR P42345 5/20 0.37
PIK3CA P42336 2/20 0.37
PDE7A Q13946 5/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PIK3R1 P27986 1/20 0.34
CNR2 P34972 1/20 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
SCHEMBL21135833 0.92 PIKFYVE (0.47) PIKFYVEPDE7AALDH1A1LMNACNR2
SCHEMBL21135817 0.90 PIKFYVE (0.49) PIKFYVEPDE7AMAPK1CNR2
SCHEMBL23272112 0.85 PIKFYVE (0.68) PIKFYVEMTORPIK3CAKDM4ELMNA
SCHEMBL30312397 0.85 PIKFYVE (0.68) PIKFYVEMTORPIK3CAKDM4ELMNA
SCHEMBL21054205 0.80 PIKFYVE (0.65) PIKFYVEMTORPIK3CAPDE7AKDM4E
SCHEMBL30312403 0.80 PIKFYVE (0.65) PIKFYVEMTORPIK3CAPDE7AKDM4E
SCHEMBL30312425 0.80 PIKFYVE (0.68) PIKFYVEMTORPIK3CAPDE7AKDM4E
SCHEMBL21053987 0.80 PIKFYVE (0.68) PIKFYVEMTORPIK3CAPDE7AKDM4E
SCHEMBL21055859 0.79 PIKFYVE (0.68) PIKFYVEMTORPIK3CAPDE7AKDM4E
SCHEMBL21054004 0.78 PIKFYVE (0.67) PIKFYVEMTORPIK3CAKDM4ELMNA

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-2019113523-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF BAJJI ASHOK (US) 2019-06-13 WO disclosed