SCHEMBL16703000

SCHEMBL16703000

Cc1n[nH]c(C)c1Br.Cc1n[nH]cc1Br

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.37
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHEK1 O14757 1/20 0.32
AKT2 P31751 1/20 0.32
P2RX7 Q99572 1/20 0.32
PDE4D Q08499 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
TSHR P16473 1/20 0.30

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
Bromide SCHEMBL611794 0.81
SCHEMBL112351 0.81
Phosphoric Acid SCHEMBL6858708 0.72 HPGD (0.31)
SCHEMBL32684053 0.64
SCHEMBL19306615 0.63 MAPT (0.47) MAPTSMN1; SMN2ADORA2AADORA2B
SCHEMBL2875683 0.62
SCHEMBL16200056 0.62
SCHEMBL2724008 0.60 LRRK2 (0.46) DYRK1ASMN1; SMN2PDE4DTSHR
SCHEMBL3263794 0.60 LRRK2 (0.45) DYRK1A
SCHEMBL31124676 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3066080-B1 NOVEL COMPOUNDS FOR COMBATING ARTHROPODS BAYER CROPSCIENCE AG (DE) 2018-05-09 EP disclosed
EP-3066079-B1 NOVEL COMPOUNDS FOR COMBATING ARTHROPODS BAYER CROPSCIENCE AG (DE) 2018-05-09 EP disclosed
EP-3066080-A1 SUBSTITUTED BENZAMIDES FOR THE TREATMENT OF ARTHROPODS Bayer CropScience Aktiengesellschaft (DE) 2016-09-14 EP disclosed
EP-3066079-A1 SUBSTITUTED BENZAMIDES FOR TREATING ARTHROPODES Bayer CropScience Aktiengesellschaft (DE) 2016-09-14 EP disclosed
WO-2015067646-A1 SUBSTITUTED BENZAMIDES FOR TREATING ARTHROPODES BAYER CROPSCIENCE AG (DE) 2015-05-14 WO disclosed
WO-2015067647-A1 SUBSTITUTED BENZAMIDES FOR THE TREATMENT OF ARTHROPODS BAYER CROPSCIENCE AG (DE) 2015-05-14 WO disclosed