SCHEMBL5570154

SCHEMBL5570154

O=C1CNC(=Cc2ccc3ncccc3n2)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 4/20 0.40
▸ PIK3CD O00329 2/20 0.36
▸ CSNK2A2 P19784 2/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ PIK3CG P48736 2/20 0.36
▸ CLK1 P49759 2/20 0.36
▸ CSNK2B P67870 2/20 0.36
▸ CSNK2A1 P68400 2/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ DYRK2 Q92630 2/20 0.36
▸ DYRK1B Q9Y463 2/20 0.36
▸ CLK3 P49761 1/20 0.36
▸ HASPIN Q8TF76 1/20 0.36
▸ MYLK2 Q9H1R3 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ STK17A Q9UEE5 1/20 0.36
▸ CISD1 Q9NZ45 2/20 0.33
▸ IKBKB O14920 1/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.33

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
SCHEMBL30363413 0.71 PRF1 (0.50) PIM1CSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL26092204 0.71 PRF1 (0.50) PIM1CSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL5571316 0.70 PIM1 (0.34) PIM1PIK3CDCSNK2A2PIK3CAPIK3CG
SCHEMBL27794596 0.70 ALDH1A1 (0.56) TRPM5NPC1RAB9AALDH1A1CYP3A4
SCHEMBL1224754 0.70 ALDH1A1 (0.56) TRPM5NPC1RAB9AALDH1A1CYP3A4
SCHEMBL5571315 0.69 TRPM5 (0.32) PIM1PIK3CDCSNK2A2PIK3CAPIK3CG
SCHEMBL27917394 0.67 ALDH1A1 (0.45) TRPM5NPC1RAB9AALDH1A1CYP3A4
SCHEMBL899929 0.67 ALDH1A1 (0.45) TRPM5NPC1RAB9AALDH1A1CYP3A4
SCHEMBL29027447 0.66 ALDH1A1 (0.41) TRPM5NPC1RAB9AALDH1A1CYP3A4
SCHEMBL3833547 0.66 GSK3B (0.54) MAPK1NPC1RAB9AALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805174-A1 1,5-NAPHTHYRIDINE AZOLIDINONES HAVING CDK1 ANTIPROLIFERATIVE ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2007-07-11 — — EP claimed
WO-2006040052-A1 1,5-NAPHTHYRIDINE AZOLIDINONES HAVING CDK1 ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2006-04-20 — — WO claimed
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