SCHEMBL30174271

SCHEMBL30174271

NC(=O)c1cccn(-c2ccc(F)cn2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 9/20 0.56
JAK2 O60674 4/20 0.40
JAK1 P23458 3/20 0.40
STAT3 P40763 1/20 0.40
JAK3 P52333 1/20 0.40
AHR P35869 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F10 P00742 1/20 0.37
P2RX7 Q99572 4/20 0.36
PDE4D Q08499 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
SLC27A1 Q6PCB7 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
SCHEMBL25208803 0.87 TYK2 (0.47) TYK2AHRKDM4EALDH1A1F10
SCHEMBL30367326 0.87 TYK2 (0.47) TYK2AHRKDM4EALDH1A1F10
SCHEMBL25529013 0.83 TYK2 (0.46) TYK2AHRKDM4EALDH1A1F10
SCHEMBL30367362 0.83 TYK2 (0.46) TYK2AHRKDM4EALDH1A1F10
SCHEMBL30452501 0.80 TYK2 (0.47) TYK2SLC27A1
SCHEMBL20689567 0.80 TYK2 (0.47) TYK2SLC27A1
SCHEMBL1161158 0.78 TYK2 (0.50) TYK2KDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL23071632 0.77 TYK2 (0.49) TYK2KDM4EALDH1A1SMN1; SMN2
SCHEMBL30174233 0.75 TYK2 (0.40) TYK2JAK2JAK1STAT3JAK3
SCHEMBL29797885 0.74 TDP1 (0.44) TYK2KDM4EALDH1A1P2RX7HCRTR1

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
CN-115605478-A Compounds and methods of use 埃克塞里艾克西斯公司(US) 2023-01-13 CN disclosed