SCHEMBL2179034

SCHEMBL2179034

O=C(O)c1cc2n[nH]cc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.42
BCL2L1 Q07817 1/20 0.42
DAO P14920 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
VCAM1 P19320 1/20 0.38
CSNK2A1 P68400 2/20 0.36
RPA1 P27694 1/20 0.36
PLK4 O00444 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
CHEK2 O96017 1/20 0.36
CDK1 P06493 1/20 0.36
PIM1 P11309 1/20 0.36

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
SCHEMBL12545252 0.84 CSNK2A2 (0.51) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL6202716 0.84 ICAM1 (0.45) MEN1KMT2AICAM1SELEVCAM1
SCHEMBL6641820 0.75 F10 (0.42) GPR35BCL2L1DAOKDM4EMAPT
SCHEMBL4592814 0.70 BCL2L1 (0.46) GPR35BCL2L1DAOKDM4EMAPT
SCHEMBL1310113 0.70 GPR35 (0.68) GPR35BCL2L1DAOKDM4EMAPT
SCHEMBL27387346 0.70
Hydrochloric Acid SCHEMBL5981433 0.69 BCL2L1 (0.44) GPR35BCL2L1DAOKDM4EMAPT
SCHEMBL3726113 0.68 DAO (0.47) GPR35DAOKDM4EMAPTMEN1
SCHEMBL28531853 0.68 GPR35 (0.65) GPR35BCL2L1DAOKDM4EMAPT
SCHEMBL3731254 0.67 KDM4E (0.46) GPR35DAOKDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2719699-B1 Certain triazolopyrazines, compositions thereof and methods of use therefor HUTCHISON MEDIPHARMA LTD (CN) 2015-07-08 EP disclosed
EP-2519524-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR Hutchison Medipharma Limited (CN) 2012-11-07 EP disclosed
WO-2011079804-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2011-07-07 WO disclosed
EP-1534716-A1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2005-06-01 EP disclosed
WO-2004007504-A1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2004-01-22 WO disclosed