SCHEMBL21048846

SCHEMBL21048846

CN(c1ccncc1CN)S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 8/20 0.41
AOC1 P19801 7/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
PTK2 Q05397 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
JAK2 O60674 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CLK2 P49760 1/20 0.34
AURKB Q96GD4 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
CYP19A1 P11511 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL14479712 0.81 MEN1 (0.40) PTK2MEN1KMT2AHSD17B10LMNA
SCHEMBL22551888 0.79 AOC3 (0.48) AOC3AOC1LOXL2CYP2E1CYP2C8
SCHEMBL19604262 0.79 MEN1 (0.38) PTK2MEN1KMT2AHSD17B10LMNA
SCHEMBL29740091 0.78 KMT2A (0.42) AOC3AOC1PTK2MEN1KMT2A
SCHEMBL25288602 0.78 KMT2A (0.42) AOC3AOC1PTK2MEN1KMT2A
SCHEMBL11987593 0.78 MEN1 (0.38) AOC3AOC1PTK2MEN1KMT2A
SCHEMBL1291311 0.76 KMT2A (0.46) PTK2MEN1KMT2AHSD17B10JAK2
SCHEMBL24497562 0.76 L3MBTL1 (0.38) PTK2MEN1KMT2AHSD17B10LMNA
SCHEMBL30621311 0.76 KMT2A (0.46) PTK2MEN1KMT2AHSD17B10JAK2
Hydrochloric Acid SCHEMBL30468480 0.75 KMT2A (0.45) PTK2MEN1KMT2AHSD17B10JAK2

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
EP-3143021-B1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER (US) 2019-06-12 EP disclosed