SCHEMBL10102099

SCHEMBL10102099

N#Cc1cnn(-c2ncccn2)c1N=Nc1c(N)nc(N)nc1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.35
KDM4D Q6B0I6 1/20 0.34
KMT2A Q03164 5/20 0.33
MEN1 O00255 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 4/20 0.32
MAPT P10636 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CSNK1A1 P48729 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
XDH P47989 1/20 0.30

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
SCHEMBL10101838 1.00 CDK2 (0.35) CDK2KDM4DKMT2AMEN1KDM4E
SCHEMBL12905196 0.92 KMT2A (0.34) CDK2KDM4DKMT2AKDM4EALDH1A1
SCHEMBL10101894 0.85 PTGS1 (0.32) PTGS1PTGS2
SCHEMBL13068734 0.77 CDK2 (0.32) CDK2KDM4DALDH1A1SMN1; SMN2NPC1
SCHEMBL10101888 0.76 IKBKB (0.41) KMT2AMEN1KDM4EALDH1A1ADORA2A
SCHEMBL4742378 0.76 NPC1 (0.36) KMT2AKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL13069077 0.76 ALDH1A1 (0.37) CDK2KMT2AMEN1KDM4EALDH1A1
SCHEMBL13071282 0.75 CDK2 (0.41) CDK2KDM4DKMT2AMEN1KDM4E
SCHEMBL824637 0.74 KMT2A (0.54) CDK2KDM4DKMT2AMEN1KDM4E
SCHEMBL10101954 0.73 PLAUR (0.35) KDM4DKMT2AMEN1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8206465-B2 Azo pigments, pigment dispersion, coloring composition, and ink for inkjet recording FUJIFILM CORPORATION (JP) 2012-06-26 US disclosed
US-8206465-B2 Azo pigments, pigment dispersion, coloring composition, and ink for inkjet recording FUJIFILM CORPORATION (JP) 2012-06-26 US disclosed
US-20110011306-A1 AZO PIGMENTS, PIGMENT DISPERSION, COLORING COMPOSITION, AND INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2011-01-20 US disclosed
US-20110011306-A1 AZO PIGMENTS, PIGMENT DISPERSION, COLORING COMPOSITION, AND INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2011-01-20 US disclosed