SCHEMBL27359869

SCHEMBL27359869

COc1cc2nn(C)c(C#N)c2cc1OC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.47
NSD2 O96028 5/20 0.44
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SRC P12931 6/20 0.39
PRKDC P78527 3/20 0.38
EGFR P00533 3/20 0.37
ERBB2 P04626 2/20 0.37
GAK O14976 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
SCHEMBL27359900 0.88 PDE10A (0.37) PDE10ANSD2SRCEGFRERBB2
SCHEMBL3135764 0.78 NQO1 (0.46) PDE10ANSD2KDM4EMAPK1SMN1; SMN2
SCHEMBL27359909 0.76 CSNK2A1 (0.37)
SCHEMBL24393044 0.75 PDE10A (0.51) PDE10ASMN1; SMN2
SCHEMBL27359897 0.71 CASP3 (0.42) GAK
SCHEMBL27359790 0.71
SCHEMBL27359871 0.71 MPO (0.43) KDM4ESMN1; SMN2EGFRERBB2
SCHEMBL27359892 0.71 CSNK2A1 (0.42)
SCHEMBL27359778 0.70 PSMB8 (0.38) PDE10AKDM4EMAPK1SMN1; SMN2
SCHEMBL27359775 0.70 KMT2A (0.40) PDE10AKDM4EMAPK1

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-2024026536-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF GRIFFITH UNIVERSITY (AU) 2024-02-08 WO disclosed