SCHEMBL8661

SCHEMBL8661

Nc1ncnc2c1ncn2CCc1oc2ccc(Br)cc2c(=O)c1-c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 5/20 0.49
NSD3 Q9BZ95 4/20 0.49
ADORA2A P29274 4/20 0.45
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 1/20 0.40
GABRQ Q9UN88 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL7727 0.92 ADORA2A (0.47) NSD2NSD3ADORA2ALMNAHPGD
SCHEMBL30670834 0.92 NSD2 (0.46) NSD2NSD3ADORA2AGABRPGABRD
SCHEMBL8248 0.92 NSD2 (0.46) NSD2NSD3ADORA2AGABRPGABRD
SCHEMBL15689097 0.91 ADORA2A (0.48) NSD2NSD3ADORA2ALMNAHPGD
SCHEMBL8148 0.88 ADORA2A (0.50) NSD2NSD3ADORA2ALMNAHPGD
SCHEMBL8479 0.85 ADORA2A (0.44) NSD2NSD3ADORA2ALMNAHPGD
SCHEMBL8598 0.82 ADORA2A (0.51) NSD2NSD3ADORA2ALMNAHPGD
SCHEMBL30670897 0.82 PI4KA (0.47) NSD2NSD3ADORA2ALMNAEGFR
SCHEMBL9193 0.82 PI4KA (0.47) NSD2NSD3ADORA2ALMNAEGFR
SCHEMBL9366 0.81 PIK3CD (0.54) ADORA2ALMNAHPGDSMN1; SMN2PI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2496567-A2 NOVEL BENZOPYRAN KINASE MODULATORS Rhizen Pharmaceuticals S.A. (CH) 2012-09-12 EP claimed
WO-2011055215-A2 NOVEL KINASE MODULATORS INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-12 WO claimed
EP-4292596-A1 METHOD AND COMBINATION FOR TREATING TUMORS Curon Biopharmaceutical (Shanghai) Co., Limited (CN) 2023-12-20 EP disclosed