SCHEMBL21872437

SCHEMBL21872437

Cc1cnn2cc(-c3cnn(C)c3)nc(-c3cnn(C4CCC4)c3)c12

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 12/20 0.62
JAK2 O60674 11/20 0.62
TYK2 P29597 11/20 0.62
JAK3 P52333 11/20 0.62
CLK2 P49760 1/20 0.43
LRRK2 Q5S007 1/20 0.43
RET P07949 6/20 0.41
IRAK1 P51617 1/20 0.40
IRAK4 Q9NWZ3 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
SCHEMBL19300034 0.84 JAK2 (0.64) JAK1JAK2TYK2JAK3RET
SCHEMBL22449704 0.80 JAK1 (0.66) JAK1JAK2TYK2JAK3CLK2
SCHEMBL19299994 0.80 JAK1 (0.94) JAK1JAK2TYK2JAK3
SCHEMBL17801247 0.76 JAK1 (1.00) JAK1JAK2TYK2JAK3
SCHEMBL19300148 0.75 JAK2 (0.48) JAK1JAK2TYK2JAK3RET
SCHEMBL19276457 0.73 JAK2 (0.64) JAK1JAK2TYK2JAK3RET
SCHEMBL24248136 0.72 JAK2 (0.46) JAK1JAK2TYK2JAK3CLK2
SCHEMBL19253460 0.72 JAK2 (0.47) JAK1JAK2TYK2JAK3RET
SCHEMBL19253538 0.72 JAK2 (0.47) JAK1JAK2TYK2JAK3RET
SCHEMBL20793958 0.72 JAK2 (0.78) JAK1JAK2TYK2JAK3RET

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 3 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
EP-3419978-B1 PYRAZOLO[1,5-A]PYRAZIN-4-YL DERIVATIVES AS JAK-INHIBITORS PFIZER (US) 2020-04-15 EP disclosed