SCHEMBL19300033

SCHEMBL19300033

C=C(CCC)c1cc2c(C)nc(-c3cnn(C)c3)cn2n1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.38
JAK1 P23458 14/20 0.38
TYK2 P29597 14/20 0.38
JAK3 P52333 10/20 0.38
BTK Q06187 3/20 0.33
PIM1 P11309 1/20 0.33
MAPT P10636 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
SCHEMBL19300020 0.85 JAK2 (0.37) JAK2JAK1TYK2JAK3BTK
SCHEMBL19300145 0.78 JAK2 (0.35) JAK2JAK1TYK2JAK3BTK
SCHEMBL19299971 0.77 JAK2 (0.50) JAK2JAK1TYK2JAK3PIM1
SCHEMBL21033570 0.73 FYN (0.42) MAPT
SCHEMBL17801193 0.70 JAK2 (0.41) JAK2JAK1TYK2JAK3BTK
SCHEMBL24438250 0.70 JAK2 (0.43) JAK2JAK1TYK2JAK3
SCHEMBL17801236 0.68 CHEK1 (0.47) JAK2JAK1TYK2JAK3BTK
SCHEMBL19299855 0.68 JAK2 (0.56) JAK2JAK1TYK2JAK3BTK
SCHEMBL19253504 0.67 JAK2 (0.48) JAK2JAK1TYK2JAK3PIM1
SCHEMBL30038166 0.67 JAK2 (0.41) JAK2JAK1TYK2JAK3

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-2017144995-A1 PYRAZOLO[1,5-A]PYRAZIN-4-YL DERIVATIVES AS JAK-INHIBITORS PFIZER INC. (US) 2017-08-31 WO disclosed