SCHEMBL8575636

SCHEMBL8575636

CCCCC(COC)c1cccc2nc(N)c3nc[nH]c3c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.35
CDK1 P06493 5/20 0.34
CCNB1 P14635 5/20 0.34
CCNA2 P20248 4/20 0.34
CDK2 P24941 4/20 0.34
CCNA1 P78396 4/20 0.34
DHFR P00374 3/20 0.34
DCPS Q96C86 2/20 0.34
PIN1 Q13526 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
PRKCD Q05655 1/20 0.34
PAK1 Q13153 1/20 0.34
CAMK2B Q13554 1/20 0.34
CAMK2G Q13555 1/20 0.34
CAMK2D Q13557 1/20 0.34
TAOK1 Q7L7X3 1/20 0.34
EGFR P00533 1/20 0.34
ABL1 P00519 1/20 0.33
RAD52 P43351 1/20 0.33

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
SCHEMBL3172914 0.84 TLR8 (0.33) TLR8CDK1CCNB1CCNA2CDK2
SCHEMBL6705148 0.80 TLR8 (0.34) TLR8TLR7PIK3CDPIK3R1PIK3CA
SCHEMBL17956087 0.79 TLR8 (0.31) TLR8CDK1CCNB1CCNA2CDK2
SCHEMBL8727256 0.77 TLR8 (0.40) TLR8CDK1CCNB1CCNA2CDK2
SCHEMBL8727251 0.76 ELANE (0.39) TLR8CDK1CCNB1CCNA2CDK2
SCHEMBL30612923 0.72 TLR8 (0.51) TLR8CDK1CCNB1CCNA2CDK2
SCHEMBL25958200 0.71 ELANE (0.46) TLR8DHFRDCPSPIN1CSNK1A1
SCHEMBL21712343 0.71 ABL1 (0.59) TLR8DHFRDCPSABL1RAD52
SCHEMBL30612922 0.71 TLR8 (0.49) TLR8CDK1CCNB1CCNA2CDK2
SCHEMBL5139045 0.70 ABL1 (0.32) ABL1RAD52RIN1

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-5741909-A PHARMACEUTICAL COMPOSITIONS WHICH ACT AS ANTIVIRAL AGENTS, INDUCE BIOSYNTHESIS OF INTERFERON AND INHIBIT TUMOR FORMATION IN ANIMALS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-04-21 US disclosed