SCHEMBL7978003

SCHEMBL7978003

N#CN/C(=N\c1ccncc1)NCc1ccc(NCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.46
F2 P00734 2/20 0.43
ROCK1 Q13464 3/20 0.43
ROCK2 O75116 2/20 0.43
LSS P48449 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PRKACA P17612 2/20 0.40
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
DYRK1A Q13627 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
CDK8 P49336 1/20 0.40
CLK2 P49760 1/20 0.40
CDK9 P50750 1/20 0.40
CDK5 Q00535 1/20 0.40
PRKCQ Q04759 1/20 0.40
LRRK2 Q5S007 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
PRSS1 P07477 1/20 0.39
RPS6KA5 O75582 1/20 0.39

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
SCHEMBL7978005 1.00 NAMPT (0.46) NAMPTF2ROCK1ROCK2LSS
SCHEMBL11157133 0.92 NAMPT (0.49) NAMPTROCK1ROCK2SMN1; SMN2PRKACA
SCHEMBL8920080 0.81 NAMPT (0.40) NAMPTMAPK1ALDH1A1LMNAQPCT
SCHEMBL8918750 0.79 HRH4 (0.41) NAMPTALDH1A1MAPTQPCT
SCHEMBL11157679 0.78 NAMPT (0.57) NAMPTALDH1A1GAALMNA
SCHEMBL8200235 0.78 CYP17A1 (0.46) NAMPTROCK1ROCK2PRKACAGSK3A
SCHEMBL8919055 0.78 HRH4 (0.40) NAMPTALDH1A1MAPTQPCT
SCHEMBL9298552 0.76 MEN1 (0.46) NAMPTALDH1A1LMNA
SCHEMBL7900515 0.75 HRH4 (0.54) NAMPTSMN1; SMN2
SCHEMBL7898798 0.75 HRH4 (0.54) NAMPTSMN1; SMN2

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
US-6255323-B1 Cyanoguanidine compounds SHIONOGI BIORESEARCH CORP. 2001-07-03 US disclosed