SCHEMBL6779845

SCHEMBL6779845

Cc1nc(N)c2nc(C)n(CCCNS(=O)(=O)c3cccc(C#N)c3)c2c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KMT2A Q03164 3/20 0.38
PKM P14618 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.37
GLO1 Q04760 1/20 0.37
SLC40A1 Q9NP59 1/20 0.37
SGK1 O00141 2/20 0.37
BRD1 O95696 1/20 0.36
BRPF1 P55201 1/20 0.36
SCN9A Q15858 1/20 0.35
KLKB1 P03952 1/20 0.35
TRIM24 O15164 1/20 0.35
CCR1 P32246 1/20 0.35
CCR2 P41597 1/20 0.35
CCR4 P51679 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
S1PR1 P21453 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
SCHEMBL6778259 0.95 KDM4E (0.39) KDM4ERXFP1KMT2APKMTDP1
SCHEMBL6780382 0.87 TLR7 (0.44) KDM4ERXFP1GLO1SLC40A1SGK1
SCHEMBL6779264 0.86 ALDH1A1 (0.41) KMT2ATLR7POLB
SCHEMBL6779818 0.83 POLB (0.48) POLB
SCHEMBL6783573 0.83 CYP19A1 (0.39) KMT2ABRPF1
SCHEMBL6784710 0.82 GLO1 (0.38) KDM4ERXFP1KMT2APKMTDP1
SCHEMBL6779292 0.81 ALDH1A1 (0.42) KMT2AMAPTPOLB
SCHEMBL6774423 0.81 TLR7 (0.41) KDM4EKMT2APKML3MBTL1TLR7
SCHEMBL6773077 0.80 MCHR1 (0.49)
SCHEMBL6773797 0.80 KMT2A (0.43) KDM4EKMT2APKMTDP1L3MBTL1

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-6696465-B2 INDUCING BIOSYNTHESIS OF CYTOKINES; VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-02-24 US claimed