SCHEMBL8115621

SCHEMBL8115621

CBc1cncc2sc(C(N)=O)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ICAM1 P05362 10/20 0.61
▸ SELE P16581 10/20 0.61
▸ VCAM1 P19320 4/20 0.61
▸ PIM1 P11309 9/20 0.58
▸ GSK3A P49840 9/20 0.58
▸ CDK5 Q00535 9/20 0.58
▸ KDR P35968 8/20 0.58
▸ LIMK1 P53667 8/20 0.58
▸ GSK3B P49841 8/20 0.58
▸ CDK2 P24941 8/20 0.58
▸ DYRK1A Q13627 8/20 0.58
▸ CDK1 P06493 7/20 0.58
▸ CHEK2 O96017 7/20 0.58
▸ MAPK9 P45984 7/20 0.58
▸ CSNK1D P48730 7/20 0.58
▸ RPS6KA3 P51812 6/20 0.58
▸ DAPK3 O43293 6/20 0.58
▸ PRKACA P17612 6/20 0.58
▸ MAPK8 P45983 6/20 0.58
▸ FGFR3 P22607 6/20 0.58

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
SCHEMBL15518133 0.80 ICAM1 (0.67) ICAM1SELEVCAM1PIM1GSK3A
SCHEMBL29069393 0.78 ICAM1 (0.69) ICAM1SELEVCAM1PIM1GSK3A
SCHEMBL30568694 0.76 ICAM1 (0.67) ICAM1SELEVCAM1PIM1GSK3A
SCHEMBL742713 0.76 ICAM1 (0.67) ICAM1SELEVCAM1PIM1GSK3A
SCHEMBL14023789 0.76 ICAM1 (0.67) ICAM1SELEVCAM1PIM1GSK3A
SCHEMBL7054697 0.76 ICAM1 (1.00) ICAM1SELEVCAM1PIM1GSK3A
SCHEMBL7056141 0.75 ICAM1 (0.65) ICAM1SELEVCAM1PIM1GSK3A
SCHEMBL7056743 0.74 GSK3A (1.00) ICAM1SELEVCAM1PIM1GSK3A
SCHEMBL7053404 0.72 PIM1 (0.69) ICAM1SELEVCAM1PIM1GSK3A
SCHEMBL5555786 0.72 PIM1 (0.78) ICAM1SELEVCAM1PIM1GSK3A

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-2008144463-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 — — WO disclosed
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