SCHEMBL31461652

SCHEMBL31461652

Cc1nc2ccccc2c2nc(CNC(=O)c3ccccc3OC(F)(F)F)nn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 2/20 0.44
EGFR P00533 1/20 0.41
BTK Q06187 1/20 0.41
HCN1 O60741 1/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
F2R P25116 1/20 0.39
ALDH1A1 P00352 2/20 0.39
OPRM1 P35372 1/20 0.39
RIPK1 Q13546 2/20 0.39
C1R P00736 1/20 0.39
PTGER4 P35408 1/20 0.39
ADORA1 P30542 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN10A Q9Y5Y9 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
SCHEMBL31461693 0.82 ALDH1A1 (0.44) KDM4ELMNAHTTEGFRBTK
SCHEMBL31461687 0.76 HPGD (0.43) KDM4ELMNAHPGDTP53GLA
SCHEMBL31461688 0.75 PDE10A (0.44) LMNAHPGDTP53GLAALDH1A1
SCHEMBL31461691 0.75 PDE10A (0.44) LMNAHPGDTP53GLAALDH1A1
SCHEMBL31461728 0.75 SMN1; SMN2 (0.43) KDM4ELMNAHPGDTP53GLA
SCHEMBL31461721 0.73 F2R (0.41) KDM4ELMNAHTTEGFRBTK
SCHEMBL31461717 0.73 EGFR (0.42) KDM4ELMNAHTTEGFRBTK
SCHEMBL30623744 0.73 ALDH1A1 (0.40) KDM4ELMNAHTTEGFRBTK
SCHEMBL31461667 0.73 ALDH1A1 (0.42) KDM4ELMNAHTTEGFRBTK
SCHEMBL26629778 0.73 ALDH1A1 (0.40) KDM4ELMNAHTTEGFRBTK

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