SCHEMBL6769445

SCHEMBL6769445

CSc1ncc(C(=O)NCCCn2ccnc2)c(Nc2ccc3[nH]ncc3c2)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP19A1 P11511 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL6772485 0.94 HSD17B10 (0.46) HSD17B10EGFRERBB2MEN1KMT2A
SCHEMBL6770452 0.84 RPS6KB1 (0.51) EGFRERBB2MEN1KMT2ALMNA
SCHEMBL6769928 0.82 RPS6KB1 (0.52) EGFRERBB2MEN1KMT2AALDH1A1
SCHEMBL6611762 0.82 SYK (0.49) EGFRERBB2MEN1KMT2ALMNA
SCHEMBL6766687 0.81 RPS6KB1 (0.53) EGFRERBB2HTT
SCHEMBL7079281 0.80 ALDH1A1 (0.51) HSD17B10MEN1KMT2AALDH1A1CYP19A1
SCHEMBL6772093 0.80 PDGFRA (0.57) EGFR
SCHEMBL6769259 0.80 ROCK1 (0.52) EGFRERBB2ALDH1A1NPC1SMN1; SMN2
SCHEMBL6769085 0.79 SYK (0.52) EGFRNPC1HTT
SCHEMBL6769930 0.79 LMNA (0.47) EGFRERBB2MEN1KMT2AALDH1A1

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-6762189-B1 HEPATITIS B VIRUS AND HUMAN IMMUNODEFICIENCY VIRUS ANTIPROLIFERATION AGENTS; REDUCED CHANCE OF TOXICITY, SIDE EFFECTS, AND DEVELOPMENT OF RESISTANT VIRAL STRAINS DONG WHA PHARM. IND. CO., LTD. (KR) 2004-07-13 US disclosed