SCHEMBL6772485

SCHEMBL6772485

CSc1ncc(C(=O)NCCCn2ccnc2)c(Nc2ccc3cn[nH]c3c2)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP19A1 P11511 1/20 0.44
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FLT1 P17948 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL6769445 0.94 HSD17B10 (0.46) HSD17B10MEN1KMT2AALDH1A1CYP19A1
SCHEMBL7079281 0.87 ALDH1A1 (0.51) HSD17B10MEN1KMT2AALDH1A1CYP19A1
SCHEMBL6608523 0.84 SYK (0.48) EGFRLMNAPDGFRBPDGFRANPC1
SCHEMBL6770161 0.82 SYK (0.47) ALDH1A1KDM4ELMNAPDGFRBPDGFRA
SCHEMBL6777397 0.81 SYK (0.46) LMNAPDGFRBPDGFRA
SCHEMBL7764656 0.81 ALDH1A1 (0.48) HSD17B10MEN1KMT2AALDH1A1CYP19A1
SCHEMBL6769391 0.80 PDGFRB (0.66) EGFRPDGFRBPDGFRA
SCHEMBL6766170 0.80 KDR (0.46) ALDH1A1EGFRPDGFRBPDGFRASMN1; SMN2
SCHEMBL6769860 0.79 SYK (0.52) EGFRLMNAPDGFRBPDGFRANPC1
SCHEMBL6771569 0.79 LMNA (0.47) MEN1KMT2AALDH1A1EGFRLMNA

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