SCHEMBL3835960

SCHEMBL3835960

Nc1n[nH]c2sc(C(=O)O)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 1/20 0.39
CSNK2A1 P68400 3/20 0.38
CSNK2A2 P19784 2/20 0.38
KDR P35968 2/20 0.38
CSNK2B P67870 2/20 0.38
GPR35 Q9HC97 2/20 0.37
KDM4E B2RXH2 7/20 0.37
MAPT P10636 2/20 0.37
ALOX15 P16050 1/20 0.37
ALDH1A1 P00352 5/20 0.36
DAO P14920 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSP90AB1 P08238 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
SCHEMBL12895640 0.83 CSNK2A2 (0.56) CSNK2A1CSNK2A2KDRCSNK2BKDM4E
SCHEMBL27244178 0.81 DAO (0.36) MAP3K8CSNK2A1CSNK2A2KDRCSNK2B
SCHEMBL13686291 0.80 CSNK2A2 (0.39) CSNK2A1CSNK2A2KDRCSNK2BHSP90AB1
SCHEMBL742663 0.78 CSNK2A2 (0.40) CSNK2A1CSNK2A2KDRCSNK2BALDH1A1
SCHEMBL6417097 0.77 KDM4E (0.52) MAP3K8CSNK2A1CSNK2A2KDRCSNK2B
SCHEMBL3955904 0.77 KDM4E (0.43) CSNK2A1CSNK2A2KDRCSNK2BKDM4E
SCHEMBL3816187 0.73 MAPK1 (0.41) CSNK2A1CSNK2A2KDRCSNK2BMAPT
SCHEMBL763925 0.73 TSHR (0.43) KDM4EMAPTALDH1A1PIM1PRKACA
SCHEMBL4136943 0.70 CA12 (0.49) MAP3K8CSNK2A1KDRKDM4EALDH1A1
SCHEMBL3089944 0.70 FGFR1 (0.50) CSNK2A1AURKACDK1CDK2GSK3B

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-1530573-B1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-03-19 EP claimed
EP-1858898-B1 HYDRAZINOCARBONYL-THIENO[2,3-C]PYRAZOLES, PREPARATION METHOD, COMPOSITIONS CONTAINING SAME AND USE AVENTIS PHARMA SA (FR) 2009-08-26 EP disclosed
EP-1530573-B1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-03-19 EP disclosed
EP-1858898-A1 HYDRAZINOCARBONYL-THIENO[2,3-C]PYRAZOLES, PREPARATION METHOD, COMPOSITIONS CONTAINING SAME AND USE Aventis Pharma S.A. (FR) 2007-11-28 EP disclosed
WO-2006092510-A1 HYDRAZINOCARBONYL-THIENO[2,3-C]PYRAZOLES, PREPARATION METHOD, COMPOSITIONS CONTAINING SAME AND USE AVENTIS PHARMA S.A. (FR) 2006-09-08 WO disclosed