SCHEMBL20006841

SCHEMBL20006841

N#CCOc1ccc(Nc2nc(Nc3cccc(SN)c3)ncc2Br)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.72
CDK1 P06493 7/20 0.72
CDK2 P24941 5/20 0.72
IGF1R P08069 5/20 0.72
GSK3B P49841 3/20 0.72
CHEK1 O14757 3/20 0.72
NTRK2 Q16620 3/20 0.72
KDR P35968 3/20 0.72
CDC7 O00311 2/20 0.72
PLK4 O00444 2/20 0.72
AURKA O14965 2/20 0.72
DCLK1 O15075 2/20 0.72
PDPK1 O15530 2/20 0.72
DAPK3 O43293 2/20 0.72
JAK2 O60674 2/20 0.72
ROCK2 O75116 2/20 0.72
MAP4K4 O95819 2/20 0.72
PAK4 O96013 2/20 0.72
CHEK2 O96017 2/20 0.72
ABL1 P00519 2/20 0.72

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
SCHEMBL20006842 0.84 SYK (1.00) SYKCDK1CDK2IGF1RGSK3B
SCHEMBL19312723 0.78 SYK (0.83) SYKCDK1CDK2IGF1RGSK3B
SCHEMBL1197543 0.74 SYK (0.80) SYKCDK1CDK2IGF1RGSK3B
SCHEMBL4007188 0.74 SYK (0.81) SYKCDK1CDK2IGF1RGSK3B
SCHEMBL4001373 0.74 JAK3 (0.81) SYKCDK1CDK2IGF1RGSK3B
SCHEMBL1197903 0.72 SYK (0.75) SYKCDK1CDK2IGF1RGSK3B
SCHEMBL1197404 0.71 SYK (0.75) SYKCDK1CDK2IGF1RGSK3B
SCHEMBL2842574 0.71 IGF1R (0.54) SYKCDK1CDK2IGF1RGSK3B
SCHEMBL4002770 0.70 JAK3 (0.62) SYKCDK1CDK2IGF1RGSK3B
SCHEMBL4001007 0.70 SYK (0.67) SYKCDK1CDK2IGF1RGSK3B

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
WO-2018058098-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING ALZHEIMER'S DISEASE YALE UNIVERSITY (US) 2018-03-29 WO disclosed