SCHEMBL18850852

SCHEMBL18850852

CC(N)c1cnc2[nH]c(=O)[nH]c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
PRKD3 O94806 2/20 0.36
MAP4K4 O95819 2/20 0.36
RET P07949 2/20 0.36
PIM1 P11309 2/20 0.36
KDR P35968 2/20 0.36
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
RPS6KA3 P51812 2/20 0.36
CDK5 Q00535 2/20 0.36
MAP4K2 Q12851 2/20 0.36
AURKB Q96GD4 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
PAK4 O96013 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36

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
SCHEMBL18238553 0.85 RPS6KA3 (0.38) TYRO3DYRK1BPRKD3MAP4K4RET
SCHEMBL4494578 0.82 TYRO3 (0.36) TYRO3DYRK1BPRKD3MAP4K4RET
SCHEMBL3868375 0.77 TYRO3 (0.35) TYRO3DYRK1BPRKD3MAP4K4RET
SCHEMBL14875127 0.76 PIM1 (0.41) PRKD3MAP4K4RETPIM1KDR
SCHEMBL4406429 0.71 CDK5 (0.42) TYRO3DYRK1BPRKD3MAP4K4RET
SCHEMBL15915542 0.69 RET (0.52) TYRO3DYRK1BPRKD3MAP4K4RET
SCHEMBL30328922 0.69 RET (0.52) TYRO3DYRK1BPRKD3MAP4K4RET
SCHEMBL23002873 0.67 RPS6KA3 (0.41) TYRO3DYRK1BPRKD3MAP4K4RET
SCHEMBL1219980 0.67 TYRO3 (0.50) TYRO3DYRK1BPRKD3MAP4K4RET
SCHEMBL19286119 0.67 RPS6KA3 (0.38) TYRO3DYRK1BPRKD3MAP4K4RET

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-2017076842-A1 INDOLIN-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-05-11 WO disclosed