SCHEMBL31389485

SCHEMBL31389485

OC1CC(n2c(C(F)(F)F)nc3cccnc32)C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
MAPT P10636 2/20 0.50
TP53 P04637 2/20 0.48
PDE4B Q07343 8/20 0.39
PDE4D Q08499 7/20 0.39
PDE10A Q9Y233 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL31389636 0.79 POLB (0.36) POLBMAPTTP53
SCHEMBL31389529 0.79 CCR5 (0.47) MAPTTP53ALDH1A1TSHRMAPK1
SCHEMBL31389457 0.78 POLB (0.53) POLBMAPTTP53PDE4BPDE4D
SCHEMBL31389550 0.78 POLB (0.37) POLBMAPTTP53
SCHEMBL15205240 0.76 PDE10A (0.70) POLBMAPTPDE10A
SCHEMBL15205239 0.76 PDE10A (0.70) POLBMAPTPDE10A
SCHEMBL15205015 0.76 POLB (0.48) POLBMAPTTP53PDE4BPDE4D
SCHEMBL15205013 0.76 POLB (0.48) POLBMAPTTP53PDE4BPDE4D
SCHEMBL31389453 0.76 KDM4E (0.39) POLBMAPTPDE4BPDE4DALDH1A1
SCHEMBL31660999 0.75 POLB (0.46) POLBMAPTTP53PDE4BPDE4D

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-2025043225-A2 DEGRADERS OF CYCLIN-DEPENDENT KINASE 2 GENENTECH, INC. (US) 2025-02-27 WO disclosed