SCHEMBL31461678

SCHEMBL31461678

Cc1nc2ncccc2c2cc(CNC(=O)c3ccccc3OC(F)(F)F)nn12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
F2R P25116 1/20 0.38
EPHX2 P34913 1/20 0.38
EGFR P00533 1/20 0.38
BTK Q06187 1/20 0.38
RIPK1 Q13546 3/20 0.38
KCNK3 O14649 3/20 0.38
KCNK9 Q9NPC2 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HCN1 O60741 1/20 0.38
POLB P06746 1/20 0.37
PDE10A Q9Y233 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
SCHEMBL31461693 0.88 ALDH1A1 (0.44) F2REGFRBTKRIPK1KCNK3
SCHEMBL31461661 0.82 EGLN1 (0.39) SLC6A9ADORA2AADORA1F2REPHX2
SCHEMBL31461716 0.81 SLC6A9 (0.39) SLC6A9ADORA2AADORA1F2REPHX2
SCHEMBL31461718 0.79 HCN1 (0.42) F2REGFRBTKKCNK3KCNK9
SCHEMBL31461721 0.79 F2R (0.41) F2REGFRBTKRIPK1KCNK3
SCHEMBL31461667 0.79 ALDH1A1 (0.42) F2REGFRBTKRIPK1KCNK3
SCHEMBL31461717 0.79 EGFR (0.42) ADORA2AADORA1F2REGFRBTK
SCHEMBL26629778 0.79 ALDH1A1 (0.40) F2REGFRBTKRIPK1KCNK3
SCHEMBL30623744 0.79 ALDH1A1 (0.40) F2REGFRBTKRIPK1KCNK3
SCHEMBL31461702 0.78 ALDH1A1 (0.41) F2REGFRBTKRIPK1KCNK3

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