SCHEMBL6580251

SCHEMBL6580251

Cc1[nH]nc(-c2cccnc2)c1B(c1c(-c2cccnc2)n[nH]c1C)c1c(-c2cccnc2)n[nH]c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.54
LRRK2 Q5S007 2/20 0.51
ALK Q9UM73 2/20 0.51
IDO1 P14902 1/20 0.51
PIM1 P11309 4/20 0.49
CHEK1 O14757 1/20 0.49
AURKA O14965 1/20 0.49
DAPK3 O43293 1/20 0.49
JAK2 O60674 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
PAK4 O96013 1/20 0.49
ABL1 P00519 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
CSF1R P07333 1/20 0.49
RET P07949 1/20 0.49
IGF1R P08069 1/20 0.49
MET P08581 1/20 0.49
PDGFRB P09619 1/20 0.49

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
SCHEMBL3464003 0.79 MAP2K4 (0.55) MAP2K4LRRK2ALKIDO1PIM1
SCHEMBL27534314 0.77 MAP2K4 (0.50) MAP2K4LRRK2ALKIDO1PIM1
SCHEMBL18770438 0.72 MAP2K4 (0.55) MAP2K4LRRK2ALKIDO1PIM1
SCHEMBL14809717 0.72 MAP2K4 (0.55) MAP2K4LRRK2ALKIDO1PIM1
SCHEMBL22819364 0.70 MAP2K4 (1.00) MAP2K4LRRK2IDO1PIM1CLK2
SCHEMBL10981820 0.70 MAP2K4 (0.52) MAP2K4LRRK2ALKIDO1PIM1
SCHEMBL28058405 0.69 CYP2A6 (0.53) MAP2K4LRRK2ALKIDO1PIM1
SCHEMBL11991175 0.69 CYP2A6 (0.56) LRRK2ALKPIM1CHEK1AURKA
SCHEMBL2322659 0.69 AKT2 (0.67) LRRK2ALKPIM1CHEK1AURKA
SCHEMBL1436058 0.68 ALK (1.00) MAP2K4LRRK2ALKPIM1CHEK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080084-B1 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS DOW GLOBAL TECHNOLOGIES INC (US) 2004-05-06 EP disclosed
EP-1080084-A2 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS THE DOW CHEMICAL COMPANY (US) 2001-03-07 EP disclosed
US-6087513-A REACTION OF ALLYL ARYL ETHER WITH HYDROGEN PEROXIDE IN THE PRESENCE OF TRANSITION METALS FOR OXIDATION THE DOW CHEMICAL COMPANY (US) 2000-07-11 US disclosed
WO-1999062894-A2 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS THE DOW CHEMICAL COMPANY (US) 1999-12-09 WO disclosed