SCHEMBL31461693

SCHEMBL31461693

Cc1nc2ccccc2c2cc(CNC(=O)c3ccccc3OC(F)(F)F)nn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
F2R P25116 1/20 0.41
RIPK1 Q13546 2/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
HCN1 O60741 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNK3 O14649 4/20 0.39
KCNK9 Q9NPC2 4/20 0.39
HPGD P15428 3/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
NOD2 Q9HC29 1/20 0.39
ADRA2A P08913 1/20 0.39
NPY5R Q15761 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL31461721 0.89 F2R (0.41) ALDH1A1HTTF2RRIPK1KDM4E
SCHEMBL30623744 0.89 ALDH1A1 (0.40) ALDH1A1HTTF2RRIPK1KDM4E
SCHEMBL31461667 0.89 ALDH1A1 (0.42) ALDH1A1HTTF2RRIPK1KDM4E
SCHEMBL31461717 0.89 EGFR (0.42) ALDH1A1HTTF2RRIPK1KDM4E
SCHEMBL26629778 0.89 ALDH1A1 (0.40) ALDH1A1HTTF2RRIPK1KDM4E
SCHEMBL31461702 0.88 ALDH1A1 (0.41) ALDH1A1HTTF2RRIPK1KDM4E
SCHEMBL26629775 0.88 ALDH1A1 (0.41) ALDH1A1HTTF2RRIPK1KDM4E
SCHEMBL31461697 0.88 ALDH1A1 (0.41) ALDH1A1HTTF2RRIPK1KDM4E
SCHEMBL31461714 0.88 ADRA2A (0.42) ALDH1A1HTTF2RRIPK1KDM4E
SCHEMBL31461678 0.88 SLC6A9 (0.39) F2RRIPK1KDM4EHCN1KCNK3

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