SCHEMBL6886945

SCHEMBL6886945

CCc1cn(C(=O)c2ccc(OC)cc2)c(=O)nc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.50
ALDH1A1 P00352 2/20 0.50
KLK7 P49862 1/20 0.50
KLK14 Q9P0G3 1/20 0.50
KLK5 Q9Y337 1/20 0.50
KDM4E B2RXH2 3/20 0.45
TSHR P16473 1/20 0.42
EGFR P00533 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42

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
SCHEMBL6880479 0.84 KMT2A (0.52) KMT2AALDH1A1KLK7KLK14KLK5
SCHEMBL12882191 0.83 KMT2A (0.51) KMT2AALDH1A1KLK7KLK14KLK5
SCHEMBL6880624 0.78 KMT2A (0.46) KMT2AALDH1A1KLK7KLK14KLK5
SCHEMBL5983023 0.76 KMT2A (0.55) KMT2AALDH1A1KLK7KLK14KLK5
SCHEMBL12882196 0.68 KMT2A (0.48) KMT2AALDH1A1KLK7KLK14KLK5
SCHEMBL28452609 0.68 KMT2A (0.52) KMT2AALDH1A1KLK7KLK14KLK5
SCHEMBL12883780 0.68 DCK (0.42) KMT2AALDH1A1KLK7KLK14KLK5
SCHEMBL5344718 0.67 RAB9A (0.41) KMT2AALDH1A1KDM4ETSHRNPC1
SCHEMBL7528356 0.67 MAPK14 (0.45) KMT2AALDH1A1NPC1RAB9ACNR2
SCHEMBL7527286 0.67 PTGS2 (0.43) KMT2AALDH1A1KLK7KLK14KLK5

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-1411954-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION Pharmasset Limited (BB) 2004-04-28 EP disclosed
WO-2002032920-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION PHARMASSET LIMITED (BB) 2002-04-25 WO disclosed