SCHEMBL5872330

SCHEMBL5872330

C=C1CCCC1c1ncc2[nH]cnc2n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 1/20 0.45
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CDK2 P24941 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SCD O00767 2/20 0.32
CCNT1 O60563 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CDK7 P50613 1/20 0.30
CDK9 P50750 1/20 0.30
CCNH P51946 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30

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
SCHEMBL8710206 0.77
SCHEMBL2951841 0.75 PAK1 (0.55) PAK1ALDH1A1KDM4ECDK2RXFP1
SCHEMBL1375993 0.75 PAK1 (0.51) PAK1ALDH1A1KDM4ECDK2RXFP1
Hydrochloric Acid SCHEMBL6821631 0.74 PAK1 (0.54) PAK1ALDH1A1KDM4ECDK2RXFP1
SCHEMBL2388908 0.70 PAK1 (0.46) PAK1ALDH1A1KDM4ECDK2RXFP1
SCHEMBL31380702 0.69 ALDH1A1 (0.45) PAK1ALDH1A1KDM4ECDK2RXFP1
SCHEMBL9416313 0.69 ALDH1A1 (0.36) PAK1ALDH1A1KDM4ECDK2RXFP1
SCHEMBL9214595 0.69 ALDH1A1 (0.36) PAK1ALDH1A1KDM4ECDK2RXFP1
SCHEMBL2002538 0.69 PAK1 (0.48) PAK1ALDH1A1KDM4ECDK2RXFP1
SCHEMBL1378385 0.68 ALDH1A1 (0.47) PAK1ALDH1A1KDM4ECDK2RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108367076-A Hydrogel composite material has a lasting medicinal property preparation 德尔科技有限公司 2018-08-03 CN claimed
CN-115433188-B Preparation method of entecavir 苏州东瑞制药有限公司 2024-07-12 CN disclosed
CN-115433188-A Preparation method of entecavir 苏州东瑞制药有限公司 2022-12-06 CN disclosed
CN-108367076-B Hydrogel composite material preparation with lasting drug property 德尔科技有限公司 2021-08-31 CN disclosed
CN-108367076-A Hydrogel composite material has a lasting medicinal property preparation 德尔科技有限公司 2018-08-03 CN disclosed
US-7153691-B2 Method of identifying and assessing DNA euchromatin in biological cells for detecting disease, monitoring wellness, assessing bio-activity, and screening pharmacological agents G6 SCIENCE CORP. (CA) 2006-12-26 US disclosed
EP-1563093-A1 METHOD OF IDENTIFYING AND ASSESSING DNA EUCHROMATIN FOR DETECTING DISEASE G6 Science Corp. (CA) 2005-08-17 EP disclosed
WO-2004044237-A1 METHOD OF IDENTIFYING AND ASSESSING DNA EUCHROMATIN FOR DETECTING DISEASE G6 SCIENCE CORP. (CA) 2004-05-27 WO disclosed
US-20040092026-A1 Method of identifying and assessing DNA euchromatin in biological cells for detecting disease, monitoring wellness, assessing bio-activity, and screening pharmacological agents G6 SCIENCE CORP. (CA) 2004-05-13 US disclosed
WO-1998009964-A1 IMPROVED PROCESS FOR PREPARING THE ANTIVIRAL AGENT [1S-(1α, 3α, 4β)]-2-AMINO-1,9-DIHYDRO-9-[4-HYDROXY-3-(HYDROXYMETHYL)-2-METHYLENECYCLOPENTYL]-6H-PURIN-6-ONE BRISTOL-MYERS SQUIBB COMPANY (US) 1998-03-12 WO disclosed
CN-1030916-C Process for preparing hydroxymethyl (methylenecyclopentyl) purines and pyrimidines SQUIBB & SONS INC (US) 1996-02-07 CN disclosed
US-5206244-A Viricides E. R. SQUIBB & SONS, INC. (US) 1993-04-27 US disclosed