SCHEMBL7469247

SCHEMBL7469247

CC[C@H](CO)Nc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 4/20 0.51
CDK2 P24941 4/20 0.51
CDK5 Q00535 4/20 0.51
DYRK1A Q13627 4/20 0.51
CDK5R1 Q15078 4/20 0.51
CCNA1 P78396 2/20 0.51
FDPS P14324 1/20 0.47
DYRK3 O43781 2/20 0.45
CCNT1 O60563 2/20 0.45
CDK9 P50750 2/20 0.45
DYRK2 Q92630 2/20 0.45
DYRK1B Q9Y463 2/20 0.45
MAPT P10636 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FYN P06241 3/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL7469257 1.00 CCNA2 (0.51) CCNA2CDK2CDK5DYRK1ACDK5R1
Pyridine SCHEMBL29126637 0.83 KDM4E (0.47) FDPSKDM4EHTTNPSR1L3MBTL1
SCHEMBL30920017 0.81 ALDH1A1 (0.49) FDPSKDM4EHTTNPSR1L3MBTL1
SCHEMBL30919983 0.81 ALDH1A1 (0.49) FDPSKDM4EHTTNPSR1L3MBTL1
SCHEMBL17234135 0.81 ALDH1A1 (0.49) FDPSKDM4EHTTNPSR1L3MBTL1
SCHEMBL1602633 0.81 ALDH1A1 (0.49) FDPSKDM4EHTTNPSR1L3MBTL1
SCHEMBL17234143 0.81 ALDH1A1 (0.49) FDPSKDM4EHTTNPSR1L3MBTL1
SCHEMBL4969090 0.79 FDPS (0.50) FDPSKDM4EHTTNPSR1L3MBTL1
SCHEMBL7465452 0.79 FDPS (0.50) FDPSKDM4EHTTNPSR1L3MBTL1
SCHEMBL4969096 0.79 FDPS (0.50) FDPSKDM4EHTTNPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763024-A1 NOVEL PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF PIPERAZINE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1997-03-19 EP claimed
WO-1995033725-A1 NOVEL PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF PIPERAZINE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1995-12-14 WO claimed
EP-0763024-B1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF PIPERAZINE DERIVATIVES WYETH JOHN & BROTHER LTD (GB) 2002-08-14 EP disclosed
US-6395902-B1 NOVEL INTERMEDIATES IN THE PREPARATION OF PHARMACEUTICALLY USEFUL PYRIDINE DERIVATIVES AS END COMPOUNDS JOHN WYETH & BROTHER LIMITED (GB) 2002-05-28 US disclosed
US-6175012-B1 REACTING 4-METHYL-3-(2-PYRIDYL)-(1,2,3,)OXATHIAZOLIDINE-2,2-DIOXIDE, FOR EXAMPLE WITH A 1-(ARYL OR HETEROARYL)PIPERAZINE TO FORM A 1-(HETERO)ARYL-4-(HETEROARYLAMINOALKYL)PIPERAZINE; INTERMEDIATE TO 5-HT1A ANTAGONIST DRUGS JOHN WYETH & BROTHER LTD. (GB) 2001-01-16 US disclosed
US-6133449-A Processes and intermediates for the preparation of piperazine derivatives JOHN WYETH & BROTHER LTD. (GB) 2000-10-17 US disclosed
EP-0763024-A1 NOVEL PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF PIPERAZINE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1997-03-19 EP disclosed
WO-1995033725-A1 NOVEL PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF PIPERAZINE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1995-12-14 WO disclosed