SCHEMBL11948735

SCHEMBL11948735

Cc1snc(-c2ccccc2)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 0.47
ADORA2A P29274 8/20 0.47
CHEK1 O14757 1/20 0.47
ABL1 P00519 1/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT1 P17948 1/20 0.47
GRK5 P34947 1/20 0.47
KDR P35968 1/20 0.47
MAP2K2 P36507 1/20 0.47
CDK8 P49336 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
PRKX P51817 1/20 0.47
NEK2 P51955 1/20 0.47
LIMK1 P53667 1/20 0.47
MAP2K1 Q02750 1/20 0.47
PRKCQ Q04759 1/20 0.47
MAP4K2 Q12851 1/20 0.47
DYRK1A Q13627 1/20 0.47

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
SCHEMBL12285001 0.80 NPC1 (0.56) ADORA1ADORA2AGRM6ADORA2BKMT2A
SCHEMBL5154549 0.79 ADORA1 (0.47) ADORA1ADORA2AADORA2BKMT2AMEN1
SCHEMBL5150675 0.79 ADORA1 (0.56) ADORA1ADORA2AGRM6ADORA2BHSD17B10
SCHEMBL6741176 0.78 RXFP1 (0.47) ADORA1ADORA2AGRM6ADORA2BHTT
SCHEMBL19053583 0.75 GRM1 (0.44) HTTKMT2AMEN1KDM4EALDH1A1
SCHEMBL30852637 0.75 GRIA4 (0.46) ADORA1ADORA2AMAP4K2CLK4HTT
SCHEMBL1808677 0.73 PLA2G1B (0.52) ADORA1ADORA2AADORA2BKMT2AMEN1
SCHEMBL4585823 0.73 PTGS1 (0.46) CHEK1HTTKMT2AMEN1KDM4E
SCHEMBL16048963 0.72 ADORA1 (0.45) ADORA1ADORA2AADORA2BKMT2AMEN1
SCHEMBL12285429 0.71 HTT (0.55) ADORA1ADORA2AGRM6ADORA2BHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377642-B1 COLORING COMPOSITION FOR IMAGE FORMATION AND METHOD FOR IMPROVING OZONE RESISTANCE OF COLOR IMAGE FUJIFILM CORP (JP) 2013-01-09 EP disclosed
US-8231691-B2 Azo dyes HUNTSMAN INTERNATIONAL LLC (US) 2012-07-31 US disclosed
US-8231691-B2 Azo dyes HUNTSMAN INTERNATIONAL LLC (US) 2012-07-31 US disclosed
US-20100196676-A1 AZO DYES HUNTSMAN INTERNATIONAL LLC (US) 2010-08-05 US disclosed
US-20100196676-A1 AZO DYES HUNTSMAN INTERNATIONAL LLC (US) 2010-08-05 US disclosed
WO-2009013122-A2 AZO DYES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2009-01-29 WO disclosed