SCHEMBL31461670

SCHEMBL31461670

Cc1nc2ccccc2c2cc(CN)nn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 3/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
TP53 P04637 1/20 0.41
TLR7 Q9NYK1 2/20 0.40
PDE10A Q9Y233 3/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
HTT P42858 2/20 0.38
BACE1 P56817 1/20 0.38
NCF1 P14598 1/20 0.38
TNF P01375 1/20 0.38
MAPK1 P28482 1/20 0.37
TSHR P16473 2/20 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
SCHEMBL31461727 0.85 TSHR (0.42) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL31461679 0.79 KDM4E (0.36) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL11474094 0.73 ALOX15 (0.46) KDM4EMAPTHSD17B10LMNAPOLB
SCHEMBL370069 0.71 PDE10A (0.43) KDM4EMAPTMEN1KMT2AHSD17B10
SCHEMBL18304786 0.71 ADORA2A (0.53) KDM4EMEN1KMT2AHSD17B10POLB
SCHEMBL18304738 0.71 ADORA2A (0.53) KDM4EMEN1KMT2AHSD17B10POLB
SCHEMBL31461658 0.70 ADORA3 (0.61) MEN1KMT2AGAALMNAPDE10A
SCHEMBL16841278 0.70 ADORA2A (0.73) KDM4EMAPTGAAHSD17B10LMNA
SCHEMBL362986 0.68 HTR3E (0.56) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL29974558 0.65 ADORA2A (0.50) KDM4EMEN1KMT2AGAAHSD17B10

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