SCHEMBL5134151

SCHEMBL5134151

CSc1nccc(-c2c(-c3ccc(F)cc3)nc3c(C)cncn23)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 4/20 0.64
CCNA2 P20248 2/20 0.64
CDK2 P24941 2/20 0.64
CDK5 Q00535 2/20 0.64
CDK5R1 Q15078 2/20 0.64
MAPK14 Q16539 9/20 0.58
CCNT1 O60563 1/20 0.47
CDK9 P50750 1/20 0.47
HASPIN Q8TF76 1/20 0.47
MAPK13 O15264 3/20 0.46
MAPK12 P53778 3/20 0.46
MAPK11 Q15759 3/20 0.46
CSNK1D P48730 9/20 0.44
JAK3 P52333 1/20 0.44
MAPK9 P45984 6/20 0.42
PRKD2 Q9BZL6 6/20 0.42
LIMK1 P53667 2/20 0.42
RPS6KA3 P51812 1/20 0.42
DYRK1A Q13627 1/20 0.42
PRKD3 O94806 5/20 0.41

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
SCHEMBL3523508 0.81 CSNK1E (0.80) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL3520464 0.78 CDK2 (0.67) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL3520179 0.77 CSNK1E (0.80) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL27721073 0.76 CSNK1E (0.76) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL12023960 0.75 CSNK1E (0.60) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL1728799 0.75 CSNK1E (0.65) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL3528432 0.74 CSNK1E (0.59) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL1730283 0.74 CSNK1E (0.64) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL3526247 0.73 CSNK1E (0.71) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL6217129 0.73 MAPK14 (1.00) CSNK1ECCNA2CDK2CDK5CDK5R1

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-1928237-A2 NOVEL IMIDAZO BASED HETEROCYCLES Abbott Laboratories (US) 2008-06-11 EP disclosed
WO-2007028051-A2 NOVEL IMIDAZO BASED HETEROCYCLES ABBOTT LABORATORIES (US) 2007-03-08 WO disclosed