SCHEMBL6771569

SCHEMBL6771569

CSc1ncc(C(=O)NCc2cccnc2)c(Nc2ccc3cn[nH]c3c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
THRB P10828 2/20 0.45
KDR P35968 2/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SYK P43405 5/20 0.43
METTL3 Q86U44 1/20 0.43
HTT P42858 1/20 0.43
CDK2 P24941 2/20 0.42
DYRK1A Q13627 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
CLK1 P49759 1/20 0.42
FLT1 P17948 2/20 0.42
PLK4 O00444 1/20 0.42
CHEK1 O14757 1/20 0.42
MAPK13 O15264 1/20 0.42
PDPK1 O15530 1/20 0.42
DAPK3 O43293 1/20 0.42
DYRK3 O43781 1/20 0.42
JAK2 O60674 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
SCHEMBL6769930 0.93 LMNA (0.47) LMNATHRBKDRMAPTALDH1A1
SCHEMBL7077388 0.86 ALDH1A1 (0.48) LMNAKDRALDH1A1METTL3HTT
SCHEMBL6769860 0.84 SYK (0.52) LMNAKDRMAPTSYKHTT
SCHEMBL6608523 0.83 SYK (0.48) LMNAKDRMAPTSYKHTT
SCHEMBL6770161 0.81 SYK (0.47) LMNAKDRMAPTALDH1A1SYK
SCHEMBL6777397 0.81 SYK (0.46) LMNAKDRMAPTSYKHTT
SCHEMBL6766170 0.81 KDR (0.46) KDRALDH1A1SYKHTTCDK2
SCHEMBL761284 0.80 SYK (0.54) KDRSYKHTTCDK2DYRK1A
SCHEMBL7081412 0.79 ALDH1A1 (0.48) LMNAKDRALDH1A1METTL3HTT
SCHEMBL6772485 0.79 HSD17B10 (0.46) LMNATHRBALDH1A1FLT1EGFR

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