SCHEMBL3819537

SCHEMBL3819537

CCOC(C)n1nc(Br)c2cc(C(=O)O)sc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TBXAS1 P24557 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PIM3 Q86V86 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.31

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
SCHEMBL18529056 0.91 PKM (0.43) KDM4EALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL1262155 0.78 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1262158 0.78 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL29511832 0.77 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL18542030 0.77 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3820144 0.74 P2RY14 (0.43) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13686293 0.73 — —
SCHEMBL1263008 0.69 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL18529035 0.69 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL12895643 0.67 KDM4E (0.56) KDM4EALDH1A1MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368057-B Pyrazolo-fused heterocyclic compounds as ERK inhibitors 捷思英达医药技术(上海)有限公司 2022-03-15 — — CN disclosed
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
EP-1824859-A1 SUBSTITUTED THIENO[2,3-C]PYRAZOLES, METHOD FOR THE PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF Aventis Pharma S.A. (FR) 2007-08-29 — — 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
WO-2006056697-A1 SUBSTITUTED THIENO[2,3-C]PYRAZOLES, METHOD FOR THE PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2006-06-01 — — WO disclosed
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