SCHEMBL6276426

SCHEMBL6276426

NC(c1cccnc1)c1nc(Br)cn2ccnc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.37
HTR2C P28335 1/20 0.37
CFTR P13569 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
GOPC Q9HD26 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
KCNN4 O15554 2/20 0.31
KCNA5 P22460 2/20 0.31
CYP19A1 P11511 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
SCHEMBL5488996 0.84 HTR2C (0.40) HTR2CL3MBTL1ADORA2AADORA1
SCHEMBL2494591 0.67 CFTR (0.58) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL6276429 0.67 EPHB4 (0.50) AURKAL3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL3751857 0.66 CFTR (0.56) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL5477688 0.65 NUDT1 (0.55) HTR2CL3MBTL1ADORA2AADORA1
SCHEMBL103894 0.65 HTR2C (0.53) AURKAHTR2CL3MBTL1ADORA2AADORA1
SCHEMBL6730606 0.64 CFTR (0.46) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL5474686 0.64 AURKA (0.50) AURKASMN1; SMN2
SCHEMBL20385475 0.64 SLC6A2 (0.42) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL24621170 0.63 CFTR (0.44) CFTRSLC6A2SLC6A4SLC6A3GOPC

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-2005085252-A1 IMIDAZO ‘1,2-A’ PYRAZINE COMPOUNDS WHICH INTERACT WITH PROTEIN KINASES BIOFOCUS DISCOVERY LIMITED (GB) 2005-09-15 WO disclosed