SCHEMBL9377657

SCHEMBL9377657

c1ccc2c(c1)nc1n2cnc2ncnn21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.43
CLK2 P49760 1/20 0.43
LIMK1 P53667 1/20 0.43
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPT P10636 2/20 0.41
ALK Q9UM73 1/20 0.38
ADORA2A P29274 3/20 0.37
ADORA1 P30542 1/20 0.37
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
HRH1 P35367 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL5909486 0.66 ALDH1A1 (0.44) CSNK1A1CLK2LIMK1DYRK1ACLK4
SCHEMBL9984386 0.65 KDM4E (0.65) ALDH1A1KDM4EMAPTALKSMN1; SMN2
SCHEMBL16586809 0.64 KDM4E (0.63) ALDH1A1KDM4EMAPTALKSMN1; SMN2
SCHEMBL1687647 0.62 HSD17B10 (0.49) ALDH1A1KDM4EMAPTALKADORA2A
SCHEMBL824377 0.61 KDM4E (0.47) CSNK1A1CLK2LIMK1DYRK1ACLK4
SCHEMBL25635091 0.61 KDM4E (0.47) CSNK1A1CLK2LIMK1DYRK1ACLK4
SCHEMBL14815244 0.61 HPGD (0.40) ALDH1A1KDM4EPTPN2PTPN1SMN1; SMN2
SCHEMBL23295567 0.60 CSNK1A1 (1.00) CSNK1A1CLK2LIMK1DYRK1ACLK4
SCHEMBL7983412 0.60 LCK (0.48) ALDH1A1KDM4EALKADORA2APTPN2
SCHEMBL22798921 0.59 TOP2A (0.39) ALDH1A1KDM4EMAPTALKADORA2A

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-0281367-B1 Substituted 1,2,4-triazolo[1,5-a]triazines as bronchodilators RIKER LABORATORIES INC (US) 1994-05-04 EP disclosed
US-4734413-A Substituted 1,2,4-triazolo[1,5-A]triazines as bronchodilators RIKER LABORATORIES, INC. (US) 1988-03-29 US disclosed