SCHEMBL13355604

SCHEMBL13355604

Cc1cc(NC(=O)c2cnn3ccc(N)nc23)[nH]n1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.57
TYK2 P29597 9/20 0.56
JAK1 P23458 8/20 0.56
JAK3 P52333 8/20 0.56
CYP1A2 P05177 3/20 0.55
CYP3A4 P08684 2/20 0.53
NTRK1 P04629 1/20 0.52
FYN P06241 1/20 0.52
ROS1 P08922 1/20 0.52
NTRK3 Q16288 1/20 0.52
NTRK2 Q16620 1/20 0.52
IRAK4 Q9NWZ3 1/20 0.42
EPHB3 P54753 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
SCHEMBL402670 0.83 JAK2 (0.58) JAK2TYK2JAK1JAK3CYP1A2
SCHEMBL13355591 0.83 JAK2 (0.47) JAK2TYK2JAK1JAK3NTRK1
SCHEMBL402594 0.79 JAK2 (0.71) JAK2TYK2JAK1JAK3CYP1A2
SCHEMBL405027 0.75 JAK2 (0.67) JAK2TYK2JAK1JAK3CYP1A2
SCHEMBL403855 0.74 JAK2 (0.66) JAK2TYK2JAK1JAK3CYP1A2
SCHEMBL22640727 0.74 EPHB3 (0.62) JAK2TYK2JAK1JAK3CYP1A2
SCHEMBL406315 0.74 JAK2 (0.83) JAK2TYK2JAK1JAK3CYP1A2
SCHEMBL22640713 0.74 JAK2 (0.74) JAK2TYK2JAK1JAK3CYP1A2
SCHEMBL402995 0.74 JAK2 (0.82) JAK2TYK2JAK1JAK3CYP3A4
SCHEMBL403687 0.74 JAK2 (0.78) JAK2TYK2JAK1JAK3CYP1A2

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-2010051549-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-05-06 WO disclosed