SCHEMBL27359889

SCHEMBL27359889

Cn1nc2ccc(C(F)(F)F)cc2c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
CTSK P43235 2/20 0.37
CCNE2 O96020 1/20 0.37
CCNA2 P20248 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
DGAT1 O75907 2/20 0.36
SOAT1 P35610 1/20 0.36
KCNH2 Q12809 1/20 0.36
PDE10A Q9Y233 1/20 0.36
KIF11 P52732 2/20 0.36
DDR1 Q08345 1/20 0.35
RIPK2 O43353 1/20 0.34
KDR P35968 1/20 0.34
MAPK14 Q16539 1/20 0.34
BACE1 P56817 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL27359782 0.88 PDE10A (0.41) POLBSMN1; SMN2CTSKDGAT1SOAT1
SCHEMBL27359766 0.80 PDE10A (0.38) SMN1; SMN2PDE10AKDM4E
SCHEMBL27359897 0.78 CASP3 (0.42) RIPK2MAPK14
SCHEMBL13106171 0.78 MCHR1 (0.44) KDM4CCCNE2CCNA2CCNE1CDK2
SCHEMBL7572616 0.78 BACE1 (0.45) KDM4CPOLBCCNE2CCNA2CCNE1
SCHEMBL17610190 0.76 KDM4C (0.43) KDM4CCCNE2CCNA2CCNE1CDK2
SCHEMBL27359759 0.76 CSNK2A1 (0.40) SMN1; SMN2PDE10AKDM4E
SCHEMBL27359778 0.76 PSMB8 (0.38) KDM4CSMN1; SMN2PDE10AKDM4E
SCHEMBL27359752 0.76 ESR1 (0.41) KDM4EAR
SCHEMBL3135764 0.74 NQO1 (0.46) KDM4CPOLBSMN1; SMN2CDK2PDE10A

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