SCHEMBL31453549

SCHEMBL31453549

NNc1nc(C2CC2)cc(C(F)(F)F)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.47
KDM4E B2RXH2 5/20 0.40
CYP17A1 P05093 1/20 0.39
PTGS2 P35354 4/20 0.37
PTGS1 P23219 2/20 0.37
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
TSHR P16473 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
HPGD P15428 5/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
GAA P10253 3/20 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
SCHEMBL9860730 0.80 CYP3A4 (0.46) KDM4ETSHRCYP3A4CYP2D6CYP2C19
SCHEMBL21730996 0.75 TLR8 (0.45) TLR8KDM4ECYP17A1CDC7DBF4
SCHEMBL25408203 0.74 TLR8 (0.44) TLR8KDM4ECYP17A1TSHRHPGD
SCHEMBL9872347 0.74 AGTR1 (0.37) MAPTLMNAGAA
SCHEMBL21928748 0.74 TLR8 (0.48) TLR8KDM4ECYP17A1TSHRHPGD
SCHEMBL9373747 0.74 TLR8 (0.48) TLR8KDM4ECYP17A1CDC7DBF4
SCHEMBL25406204 0.73 TLR8 (0.41) TLR8KDM4ECYP17A1CDC7DBF4
SCHEMBL31558756 0.72 HSP90AA1 (0.58) KDM4ETSHRCYP3A4CYP2D6CYP2C19
SCHEMBL9711371 0.72 HSP90AA1 (0.58) KDM4ETSHRCYP3A4CYP2D6CYP2C19
SCHEMBL30531475 0.71 PDK1 (0.44) TLR8KDM4ECYP17A1TSHRHPGD

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-2025016138-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SUZHOU EOC MEDICAL RESEARCH CO., LTD. (CN) 2025-01-23 WO disclosed