SCHEMBL31461695

SCHEMBL31461695

O=C(NCc1nc2c3ccccc3nc(N3CCOCC3)n2n1)c1ccccc1OC(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HDAC1 Q13547 1/20 0.40
CNR2 P34972 1/20 0.39
NPC1 O15118 2/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PIK3CA P42336 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HIF1A Q16665 1/20 0.38
PIK3R1 P27986 1/20 0.38
MTOR P42345 1/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
USP2 O75604 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL31461687 0.82 HPGD (0.43) TP53SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL31461691 0.81 PDE10A (0.44) TP53SMN1; SMN2HDAC1NPC1RAB9A
SCHEMBL31461688 0.81 PDE10A (0.44) TP53SMN1; SMN2HDAC1NPC1RAB9A
SCHEMBL31461728 0.81 SMN1; SMN2 (0.43) TP53SMN1; SMN2HDAC1NPC1TSHR
SCHEMBL31461675 0.75 RAB9A (0.46) TP53SMN1; SMN2HDAC1NPC1RAB9A
SCHEMBL31461724 0.74 HDAC1 (0.41) TP53SMN1; SMN2HDAC1CNR2TSHR
SCHEMBL31461652 0.71 KDM4E (0.49) TP53KDM4EALDH1A1HPGD
SCHEMBL31461742 0.68 RAB9A (0.38) SMN1; SMN2HDAC1NPC1RAB9AKDM4E
SCHEMBL31461694 0.65 RAB9A (0.44) TP53SMN1; SMN2HDAC1NPC1RAB9A
SCHEMBL31461704 0.65 RAB9A (0.44) TP53SMN1; SMN2HDAC1NPC1RAB9A

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-2025024543-A1 TRICYCLIC UBE2K MODULATORS AND METHODS FOR THEIR USE BPGBIO, INC. (US) 2025-01-30 WO disclosed