SCHEMBL22620159

SCHEMBL22620159

C/C(N)=N\C(=O)c1cnc2[nH]ccc2c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.46
JAK2 O60674 14/20 0.46
JAK1 P23458 13/20 0.45
TYK2 P29597 4/20 0.40
DAPK3 O43293 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
ABL1 P00519 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
MET P08581 1/20 0.40
PDGFRB P09619 1/20 0.40
PIM1 P11309 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
PRKACA P17612 1/20 0.40
FLT1 P17948 1/20 0.40
LTK P29376 1/20 0.40
GRK5 P34947 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
SCHEMBL12876743 0.81 JAK2 (0.53) JAK3JAK2JAK1TYK2PRKCI
SCHEMBL2359607 0.78 HAVCR2 (0.48) JAK3JAK2JAK1TYK2DAPK3
SCHEMBL29656385 0.77 TTBK1 (0.48) JAK3JAK2JAK1MAP2K1AXL
SCHEMBL28798529 0.77 TTBK1 (0.48) JAK3JAK2JAK1MAP2K1AXL
SCHEMBL22613348 0.73 JAK3 (0.58) JAK3JAK2JAK1TYK2
SCHEMBL22613345 0.73 JAK3 (0.58) JAK3JAK2JAK1TYK2
SCHEMBL20990227 0.73 NUDT1 (0.65) JAK3JAK1NUDT1
SCHEMBL24495812 0.71 JAK2 (0.53) JAK3JAK2JAK1TYK2AXL
SCHEMBL1154763 0.68 AXL (0.54) JAK3JAK2JAK1TYK2AXL
SCHEMBL29713778 0.68 AXL (0.54) JAK3JAK2JAK1TYK2AXL

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-2020223728-A1 SUBSTITUTED PYRROLOPYRIDINES AS JAK INHIBITORS ACLARIS THERAPEUTICS, INC. (US) 2020-11-05 WO disclosed