SCHEMBL31631901

SCHEMBL31631901

COc1nc(N)nc(C)c1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.42
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
TLR8 Q9NR97 1/20 0.40
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
BACE1 P56817 3/20 0.32
MTOR P42345 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
NUDT1 P36639 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL31631861 0.78 TLR8 (0.48) PIK3CATLR8KDM4EALDH1A1LMNA
SCHEMBL15443926 0.77 DYRK1A (0.36)
SCHEMBL18134204 0.77 CCNA2 (0.44) PIK3CACCNA2CDK2CCNA1MAPK1
SCHEMBL9287284 0.77 CCNA2 (0.44) PIK3CACCNA2CDK2CCNA1TLR8
SCHEMBL10860584 0.74 CCNA2 (0.41) PIK3CACCNA2CDK2CCNA1MAPK1
SCHEMBL4104572 0.74 CCNA2 (0.41) PIK3CACCNA2CDK2CCNA1TLR8
SCHEMBL28221808 0.74 CCNA2 (0.41) PIK3CACCNA2CDK2CCNA1TLR8
SCHEMBL26978230 0.74 ALDH1A1 (0.51) PIK3CACCNA2CDK2CCNA1TLR8
SCHEMBL12599922 0.74 CYP1A2 (0.41) ALDH1A1CYP1A2
SCHEMBL21359097 0.74 ALDH1A1 (0.33) ALDH1A1

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-2025125665-A1 FURTHER SUBSTITUTED IMIDAZOLES AS INHIBITORS OF NAV1.8 Grünenthal GmbH (DE) 2025-06-19 WO disclosed