SCHEMBL3822353

SCHEMBL3822353

CCOC(C)n1nc(NC(=O)c2ccc(N3CCN(C)CC3)cc2)c2cc(C(=O)O)sc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 13/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KIT P10721 3/20 0.43
FLT3 P36888 2/20 0.42
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
NR4A1 P22736 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3861721 0.92 AURKA (0.47) AURKAMEN1KMT2AFLT3
Hydrochloric Acid SCHEMBL741106 0.83 AURKA (0.47) AURKAMEN1KMT2AKITFLT3
SCHEMBL1262154 0.80 KDM4E (0.44) MEN1KMT2AMAPTHSD17B10HPGD
Hydrochloric Acid SCHEMBL740981 0.75 LRRK2 (0.46) AURKAMEN1KMT2AMAPTHPGD
SCHEMBL741671 0.74 AURKA (0.46) AURKAMEN1KMT2AKITFLT3
SCHEMBL741230 0.73 AURKA (0.59) AURKAKITFLT3ABL1BCR
Hydrochloric Acid SCHEMBL740993 0.72 AURKA (0.58) AURKAKITFLT3ABL1BCR
SCHEMBL740536 0.72 AURKA (0.46) AURKAKITFLT3ABL1BCR
Hydrochloric Acid SCHEMBL739314 0.72 IKBKE (0.44) KITFLT3ABL1MAPTTSHR
SCHEMBL1263492 0.71 HPGD (0.50) MEN1KMT2AMAPTHSD17B10HPGD

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-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-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