SCHEMBL30748575

SCHEMBL30748575

[2H]c1cc2cccnc2c(N2CCC(F)(F)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.42
PDE10A Q9Y233 2/20 0.40
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MMP2 P08253 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
MMP8 P22894 1/20 0.38
CCR1 P32246 1/20 0.38

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
SCHEMBL30600701 0.87 GRM4 (0.52) GRM4PDE10AHTR2AHTR2CSLC6A4
SCHEMBL26650487 0.78 GRM4 (0.43) GRM4PDE10AMTORSCN10AHRH4
SCHEMBL30600597 0.78 HTR2A (0.63) HTR2AHTR2CSLC6A4KDM4EGMNN
SCHEMBL30417327 0.72 DRD4 (0.44) GRM4PDE10AMAPTSCN10AMAOB
SCHEMBL23536563 0.71 GRM4 (0.57) GRM4
SCHEMBL30417104 0.71 HSD11B1 (0.48) TRPV1
SCHEMBL22597907 0.71 GRIN2D (0.51) GRM4PDE10AKDM4ESCN10ATRPV1
SCHEMBL30417099 0.71 HSD11B1 (0.49) GRM4PDE10ASCN10ATRPV1
SCHEMBL26646371 0.71 SCN10A (0.46) GRM4SCN10A
SCHEMBL31316087 0.69 HTR1A (0.52) GRM4PDE10AHTR2AHTR2CSLC6A4

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-2023217230-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF 上海湃隆生物科技有限公司 2023-11-16 WO disclosed