SCHEMBL16747660

SCHEMBL16747660

NC(=O)c1cnn2ccc(Nc3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.66
JAK1 P23458 1/20 0.66
TYK2 P29597 1/20 0.66
JAK3 P52333 1/20 0.66
SYK P43405 10/20 0.53
AURKA O14965 5/20 0.51
CAMK1D Q8IU85 3/20 0.48
ZAP70 P43403 2/20 0.48
PRKCE Q02156 1/20 0.47
BTK Q06187 1/20 0.47
ITK Q08881 1/20 0.47
KDM4E B2RXH2 1/20 0.47
KIF11 P52732 1/20 0.46

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
SCHEMBL15428599 0.91 JAK2 (0.68) JAK2JAK1TYK2JAK3AURKA
SCHEMBL406802 0.85 JAK2 (0.71) JAK2JAK1TYK2JAK3SYK
SCHEMBL13355521 0.84 TYK2 (0.52) JAK2JAK1TYK2JAK3SYK
SCHEMBL10191608 0.81 JAK2 (0.61) JAK2JAK1TYK2JAK3
SCHEMBL406314 0.81 JAK2 (0.61) JAK2JAK1TYK2JAK3
SCHEMBL403558 0.80 JAK2 (0.62) JAK2JAK1TYK2JAK3
SCHEMBL404082 0.80 JAK2 (1.00) JAK2JAK1TYK2JAK3SYK
SCHEMBL15428610 0.74 JAK2 (0.49) JAK2JAK1TYK2JAK3SYK
SCHEMBL400136 0.73 JAK2 (0.55) JAK2JAK1TYK2JAK3
SCHEMBL402656 0.73 RXFP1 (0.56) JAK2JAK1TYK2JAK3AURKA

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-2348860-B1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH INC (US) 2015-05-27 EP disclosed