SCHEMBL22449693

SCHEMBL22449693

COC(=O)c1cc(C)n(CC(=O)c2cnn(Cc3ccc(OC)cc3)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 11/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
KLK1 P06870 1/20 0.44
GAA P10253 2/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MGAM O43451 1/20 0.40
AMY1A P0DUB6 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40

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
SCHEMBL19253465 0.90 L3MBTL1 (0.46) KLKB1L3MBTL1KLK1ALDH1A1CYP1A2
SCHEMBL28518677 0.89 L3MBTL1 (0.45) KLKB1L3MBTL1RAB9AALDH1A1CYP1A2
SCHEMBL17801254 0.84 MAPT (0.50) KLKB1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL19253522 0.81 EGLN1 (0.45) KLKB1L3MBTL1GAARAB9AALDH1A1
SCHEMBL19919899 0.81 RAB9A (0.60) GAARAB9AALDH1A1CYP1A2CYP2C19
SCHEMBL17895755 0.79 L3MBTL1 (0.60) KLKB1L3MBTL1KLK1GAARAB9A
SCHEMBL17801300 0.76 L3MBTL1 (0.56) KLKB1L3MBTL1GAARAB9A
SCHEMBL2511099 0.76 L3MBTL1 (0.56) KLKB1L3MBTL1GAARAB9A
SCHEMBL369195 0.75 GSK3B (0.55) KLKB1L3MBTL1RAB9AALDH1A1
SCHEMBL2511098 0.75 L3MBTL1 (0.55) KLKB1L3MBTL1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3712153-B1 PYRAZOLO[1,5-A]PYRAZIN-4-YL DERIVATIVES AS JAK-INHIBITORS PFIZER (US) 2021-12-01 EP disclosed
EP-3712153-A1 PYRAZOLO[1,5-A]PYRAZIN-4-YL DERIVATIVES AS JAK-INHIBITORS Pfizer Inc (US) 2020-09-23 EP disclosed